data_2cka_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 2cka _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.47 -7.33 59.57 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 119.067 0.848 . . . . 0.0 111.883 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.9 t -68.45 161.98 26.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -100.54 118.07 35.97 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' A' 2052 ' ' ALA . 47.7 mm -89.01 119.3 69.8 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.923 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -66.75 126.51 15.48 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 121.839 1.692 . . . . 0.0 108.968 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.6 m -121.19 150.44 24.21 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.01 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.6 tt -130.12 136.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.583 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.47 115.91 17.61 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.79 -14.51 61.12 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 29.8 t -91.53 -56.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.67 -63.47 1.34 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.429 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 130.75 -15.59 5.42 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.226 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 90.7 m -50.4 119.54 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.88 0.472 . . . . 0.0 112.189 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.1 tp -104.51 126.58 51.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.01 127.84 54.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.5 m -132.52 165.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.261 0.351 . . . . 0.0 110.422 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.63 -137.49 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.72 1.41 55.19 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.364 0.602 . . . . 0.0 111.116 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 8.4 t0 -77.39 -33.0 55.23 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -83.64 142.73 42.99 Favored Pre-proline 0 N--CA 1.423 -1.778 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.514 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -69.28 164.6 33.44 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 123.308 2.672 . . . . 0.0 113.923 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -71.34 150.72 44.82 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.446 ' HD3' HG13 ' A' 2036 ' ' ILE . 13.7 tpt180 -62.36 -30.87 71.49 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-O 120.621 0.248 . . . . 0.0 111.125 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.05 96.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.657 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.81 -23.52 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.76 -42.85 26.59 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.964 1.705 . . . . 0.0 112.058 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' 2063 ' ' GLN . 10.3 tp10 -54.59 -53.93 48.04 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 123.687 0.617 . . . . 0.0 110.202 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 71.3 mtm -75.09 -32.65 61.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 44.3 t90 -62.14 -45.35 93.82 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.838 0.855 . . . . 0.0 110.359 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 61.3 mt -68.44 -32.78 73.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.662 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2059 ' ' GLU . 57.1 mt-30 -61.53 -34.01 74.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.779 0.323 . . . . 0.0 111.466 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.03 54.5 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.435 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -140.79 90.53 9.61 Favored Pre-proline 0 C--N 1.318 -0.764 0 C-N-CA 123.051 0.54 . . . . 0.0 110.617 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -68.7 -2.05 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.099 2.533 . . . . 0.0 112.321 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.0 -36.41 79.41 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.952 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.96 146.0 24.54 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.046 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -142.55 173.52 11.46 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 31.1 m -71.77 149.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 123.344 0.403 . . . . 0.0 109.993 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.6 122.46 76.49 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.089 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -62.48 -26.02 76.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.6 2.2 . . . . 0.0 112.959 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -74.46 -29.1 61.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.2 t80 -68.31 -32.79 73.18 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.96 -39.11 76.22 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.69 -30.55 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.485 0.659 . . . . 0.0 110.2 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -67.66 -33.89 75.83 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.93 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.773 175.521 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.96 -7.42 57.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.997 -0.44 . . . . 0.0 110.757 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.3 m -61.35 132.87 54.92 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.758 0.823 . . . . 0.0 108.874 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.406 ' HD3' ' N ' ' A' 2035 ' ' ARG . 1.1 mpp_? -84.72 107.33 16.85 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 40.2 mm -83.0 123.89 77.19 Favored Pre-proline 0 C--N 1.31 -1.138 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.83 137.89 51.12 Favored 'Trans proline' 0 C--O 1.244 0.777 0 C-N-CA 122.374 2.05 . . . . 0.0 111.964 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 27.7 m -130.72 162.12 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.382 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.7 tt -136.58 137.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.039 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -81.15 117.17 21.47 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.94 -29.65 65.74 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 122.931 0.492 . . . . 0.0 111.546 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.2 t -76.18 -54.33 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.727 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.15 -54.43 5.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.016 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.61 -6.84 9.04 Favored Glycine 0 C--N 1.312 -0.781 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.528 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 1.9 m -53.64 120.32 6.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.522 1.129 . . . . 0.0 111.327 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 53.9 tp -107.47 125.81 51.73 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.482 HD21 ' OD2' ' A' 2051 ' ' ASP . 38.3 mt -109.35 124.53 51.12 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 16.9 m -134.99 175.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 123.66 0.6 . . . . 0.0 110.066 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.511 -0.186 0 O-C-N 123.527 0.517 . . . . 0.0 112.7 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -99.23 -3.97 33.03 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.382 0.611 . . . . 0.0 110.67 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2051 ' ' ASP . . . . . 0.482 ' OD2' HD21 ' A' 2047 ' ' LEU . 23.9 t70 -84.4 -26.12 28.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -73.98 150.35 88.03 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.639 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.21 136.62 22.44 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.813 2.342 . . . . 0.0 114.162 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -55.83 130.42 43.47 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 125.322 1.449 . . . . 0.0 107.821 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -48.28 -45.64 34.99 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.39 70.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 111.27 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -83.27 -41.03 18.79 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -47.91 -49.25 30.57 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.901 2.08 . . . . 0.0 113.688 -174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.23 -34.81 78.87 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.816 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 69.7 mtm -74.8 -38.13 62.19 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.709 0.766 . . . . 0.0 109.041 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.7 t90 -62.78 -46.03 89.92 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 124.769 1.227 . . . . 0.0 111.713 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.77 -34.04 72.46 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.95 0.5 . . . . 0.0 111.856 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.9 -27.33 68.12 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.786 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.8 -1.29 58.72 Favored Glycine 0 C--N 1.307 -1.044 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.743 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.7 m80 -136.76 76.62 46.82 Favored Pre-proline 0 C--N 1.319 -0.718 0 O-C-N 122.704 -0.292 . . . . 0.0 110.787 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.17 -10.43 28.6 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.52 2.147 . . . . 0.0 112.132 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.33 -26.91 63.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.146 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -104.12 152.51 22.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -144.94 163.5 33.98 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 35.1 m -76.8 151.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-O 120.892 0.377 . . . . 0.0 111.21 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.528 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 12.1 t70 -61.97 125.15 84.51 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.978 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2072 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 16.9 Cg_exo -67.46 -18.34 49.24 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.049 2.499 . . . . 0.0 113.931 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.528 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 18.3 mtp180 -76.38 -38.53 55.59 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 86.0 t80 -64.03 -40.7 96.91 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.16 -39.05 81.26 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.158 176.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.44 85.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.217 0.532 . . . . 0.0 110.746 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.08 -35.68 74.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 111.086 174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 C--N 1.311 -1.082 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 -177.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 C--O 1.244 0.802 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -96.13 -16.71 21.37 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 38.1 m -64.22 137.26 57.85 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 120.741 0.305 . . . . 0.0 110.705 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -82.35 121.41 26.66 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.498 ' O ' ' HB1' ' A' 2052 ' ' ALA . 45.9 mm -93.63 119.75 66.85 Favored Pre-proline 0 C--N 1.297 -1.691 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2037 ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' 2047 ' ' LEU . 11.8 Cg_exo -59.42 118.36 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.498 2.132 . . . . 0.0 110.563 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.3 m -113.25 142.69 24.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2039 ' ' ILE . . . . . 0.454 ' CG1' ' HA3' ' A' 2044 ' ' GLY . 16.9 tt -116.13 143.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2040 ' ' ASN . . . . . 0.651 ' OD1' ' HB ' ' A' 2042 ' ' VAL . 1.6 t-20 -65.28 136.38 56.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.799 -0.62 . . . . 0.0 109.331 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2041 ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' 2067 ' ' GLU . 1.9 mptm? -64.0 -36.14 82.99 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 170.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2042 ' ' VAL . . . . . 0.651 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 21.9 t -68.72 -60.53 2.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.559 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.07 67.52 0.25 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2044 ' ' GLY . . . . . 0.454 ' HA3' ' CG1' ' A' 2039 ' ' ILE . . . 72.34 26.99 70.69 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 155.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2045 ' ' THR . . . . . 0.533 ' H ' ' HB2' ' A' 2040 ' ' ASN . 16.7 m -74.71 104.11 5.24 Favored 'General case' 0 N--CA 1.399 -3.016 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.8 tp -97.58 119.83 36.84 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.231 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' 2037 ' ' PRO . 64.4 mt -102.55 129.12 49.0 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2048 ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' 2051 ' ' ASP . 32.8 m -130.55 169.12 21.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 68.41 -134.42 28.62 Favored Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.28 -12.8 57.81 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.176 0.512 . . . . 0.0 110.862 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2051 ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' 2048 ' ' VAL . 13.8 m-20 -71.1 -32.58 69.23 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -85.11 147.5 47.93 Favored Pre-proline 0 N--CA 1.423 -1.794 0 CA-C-N 114.466 -1.243 . . . . 0.0 107.952 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.11 153.62 32.25 Favored 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.03 1.82 . . . . 0.0 113.55 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -68.58 138.28 54.97 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.495 ' HG2' ' CG1' ' A' 2036 ' ' ILE . 0.6 OUTLIER -50.53 -42.31 54.96 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 118.876 0.762 . . . . 0.0 112.357 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.8 67.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.341 0.4 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -91.28 -26.81 18.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.045 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -47.73 -43.44 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.994 1.718 . . . . 0.0 112.956 -175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.3 -54.67 33.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 43.1 tpp -65.99 -30.44 71.0 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.603 0.716 . . . . 0.0 110.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2061 ' ' TRP . . . . . 0.417 ' O ' ' HD3' ' A' 2066 ' ' PRO . 32.1 t90 -63.76 -46.15 86.6 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.191 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.93 -35.84 77.28 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -65.27 -28.75 69.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.935 0.494 . . . . 0.0 112.214 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -81.57 -2.73 90.63 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.922 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 74.4 m80 56.34 80.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 125.325 1.45 . . . . 0.0 113.446 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2066 ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' 2061 ' ' TRP . 62.0 Cg_endo -90.49 -0.93 5.29 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.755 2.304 . . . . 0.0 111.083 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.49 ' HA ' ' OE1' ' A' 2067 ' ' GLU . 5.6 mm-40 70.13 32.81 2.85 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 124.962 1.305 . . . . 0.0 112.977 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.36 148.77 51.31 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 113.125 -1.852 . . . . 0.0 107.094 173.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.02 169.69 17.36 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 75.4 t -67.47 136.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 25.0 t70 -58.02 124.83 71.81 Favored Pre-proline 0 C--O 1.24 0.597 0 C-N-CA 122.721 0.408 . . . . 0.0 110.263 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.9 -25.41 67.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.765 2.31 . . . . 0.0 112.879 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.45 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 16.0 ttp180 -72.78 -36.2 67.58 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.833 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -36.23 78.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -42.14 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.56 91.64 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.393 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.23 -40.26 85.33 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.374 1.07 . . . . 0.0 111.037 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.069 177.692 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2032 ' ' LEU . . . . . 0.465 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 82.5 mt . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.396 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 55.1 m -73.08 135.27 44.78 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.368 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -71.18 111.1 6.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.155 0.582 . . . . 0.0 109.817 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.409 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 45.3 mm -87.1 117.83 69.16 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.894 172.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -68.97 133.72 27.76 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.099 1.866 . . . . 0.0 111.157 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 14.9 m -124.79 146.32 30.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.39 135.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -72.57 123.26 22.82 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.77 -23.66 64.34 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 123.357 0.663 . . . . 0.0 112.711 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.5 t -89.98 -59.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.457 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.22 -46.76 14.34 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.71 11.22 25.3 Favored Glycine 0 C--N 1.303 -1.284 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.003 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.2 m -62.7 114.01 3.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 59.9 tp -106.62 125.37 50.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 46.2 mt -104.28 117.55 34.47 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 28.3 m -126.53 158.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.99 -137.89 28.94 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.93 -5.61 54.16 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.088 0.47 . . . . 0.0 111.716 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.78 -23.43 42.17 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.96 0.886 . . . . 0.0 108.764 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.14 146.78 38.99 Favored Pre-proline 0 N--CA 1.428 -1.552 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 152.71 67.97 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.697 1.598 . . . . 0.0 111.834 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -69.94 147.61 49.98 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.625 ' O ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -58.36 -28.64 65.32 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -172.685 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.18 81.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.647 0.26 . . . . 0.0 111.152 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.66 -16.29 20.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2058 ' ' LEU . . . . . 0.45 ' CB ' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -55.35 -43.56 75.14 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.516 1.126 . . . . 0.0 111.72 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' 2063 ' ' GLN . 35.3 mm-40 -55.19 -56.36 20.8 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.397 0.618 . . . . 0.0 109.804 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2060 ' ' MET . . . . . 0.406 ' HA ' ' HE2' ' A' 2060 ' ' MET . 0.5 OUTLIER -57.77 -45.28 86.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.702 178.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 74.0 t90 -58.15 -51.93 67.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.275 1.03 . . . . 0.0 110.352 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.27 -32.08 69.69 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' 2059 ' ' GLU . 25.2 mm-40 -63.79 -31.39 72.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.41 -15.07 39.15 Favored Glycine 0 C--N 1.313 -0.707 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.44 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -128.38 75.22 79.39 Favored Pre-proline 0 C--N 1.311 -1.069 0 O-C-N 122.063 -0.669 . . . . 0.0 109.481 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.83 -0.0 10.08 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.726 2.284 . . . . 0.0 112.825 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.5 -5.82 59.25 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.757 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -106.74 151.9 24.53 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -133.75 155.19 50.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 4.7 p -67.8 133.78 31.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.81 119.44 33.72 Favored Pre-proline 0 C--O 1.243 0.758 0 O-C-N 123.865 0.728 . . . . 0.0 111.289 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.12 -16.98 36.19 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.183 2.588 . . . . 0.0 113.256 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -83.81 -34.27 24.74 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.16 -52.84 52.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.573 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' 2078 ' ' MET . 4.1 pp -66.85 -24.67 66.17 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.31 -23.12 67.19 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.53 -40.72 83.74 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 122.393 0.277 . . . . 0.0 111.071 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2078 ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' 2075 ' ' LEU . 27.1 ptm . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2032 ' ' LEU . . . . . 0.419 ' HB3' ' HB3' ' A' 2056 ' ' ALA . 96.0 mt . . . . . 0 CA--C 1.555 1.148 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.28 -17.16 40.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.124 0.875 . . . . 0.0 112.436 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 57.7 m -71.73 146.03 48.41 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -92.44 122.8 35.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.9 119.08 73.69 Favored Pre-proline 0 C--N 1.301 -1.519 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -67.48 121.79 8.93 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 122.005 1.803 . . . . 0.0 110.823 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -123.03 152.03 27.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.035 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2039 ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' 2045 ' ' THR . 15.1 tt -133.23 137.3 53.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.416 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2040 ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' 2067 ' ' GLU . 39.3 t-20 -69.6 110.48 4.85 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -64.17 -21.57 66.61 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 69.4 t -89.85 -51.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 CA-C-O 121.05 0.452 . . . . 0.0 110.107 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.43 -40.59 23.14 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 100.21 19.33 19.18 Favored Glycine 0 N--CA 1.433 -1.517 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.813 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2045 ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' 2039 ' ' ILE . 17.8 m -76.21 100.36 5.02 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.4 tp -93.03 124.88 37.32 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 86.9 mt -109.53 116.91 32.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 27.4 m -131.29 162.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.55 -126.12 32.25 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 123.768 0.668 . . . . 0.0 112.658 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.84 -4.24 58.87 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.485 0.66 . . . . 0.0 111.786 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.43 -10.23 54.67 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.521 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -107.13 145.85 32.0 Favored Pre-proline 0 N--CA 1.427 -1.598 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.41 167.7 20.86 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.089 1.86 . . . . 0.0 111.06 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -70.45 156.81 38.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -55.62 -37.02 67.63 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.052 176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' 2032 ' ' LEU . . . -64.25 -19.96 65.73 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.404 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -106.52 -32.08 8.23 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.603 0.716 . . . . 0.0 109.593 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.39 -46.29 76.56 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.676 1.59 . . . . 0.0 114.355 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.08 -48.45 78.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.37 0.605 . . . . 0.0 111.156 -173.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.78 -32.59 69.75 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.418 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 91.5 t90 -64.89 -45.38 86.19 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.36 1.064 . . . . 0.0 110.551 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.69 -33.25 64.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.881 0.872 . . . . 0.0 112.581 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.98 -31.94 73.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 120.891 0.376 . . . . 0.0 110.971 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.16 -2.85 55.83 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.362 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 75.8 m80 -133.37 77.27 66.33 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.56 -14.5 27.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.054 2.502 . . . . 0.0 115.267 -172.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' 2040 ' ' ASN . 64.3 mm-40 -91.4 2.52 56.35 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.638 -0.825 . . . . 0.0 112.528 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -99.98 124.99 45.94 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.229 0.538 . . . . 0.0 110.7 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -122.29 160.52 25.12 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 9.2 p -68.2 140.03 19.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 123.481 0.488 . . . . 0.0 111.606 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.432 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.5 t70 -63.53 133.78 95.63 Favored Pre-proline 0 C--O 1.246 0.914 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.8 178.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.79 -23.1 42.15 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.211 2.607 . . . . 0.0 113.912 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.432 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 10.3 ttm180 -75.86 -37.58 58.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 79.5 t80 -64.13 -35.67 81.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.875 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.24 -33.34 75.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.447 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.2 -40.07 86.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -63.73 -32.36 73.82 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.975 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 C--N 1.319 -0.736 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.467 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -15.9 59.85 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.903 0.858 . . . . 0.0 110.121 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.1 m -65.6 116.44 6.85 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 113.836 -1.529 . . . . 0.0 111.301 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.542 ' H ' ' HD2' ' A' 2035 ' ' ARG . 0.0 OUTLIER -62.71 105.54 0.67 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.811 175.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.5 mm -76.61 120.41 81.54 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.036 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.34 133.34 32.27 Favored 'Trans proline' 0 C--O 1.25 1.108 0 C-N-CA 122.112 1.875 . . . . 0.0 111.066 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 24.5 m -125.44 154.55 34.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.053 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 13.1 tt -130.68 131.82 64.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 120.928 0.394 . . . . 0.0 110.07 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -78.35 117.3 19.45 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.08 -25.46 66.24 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -84.41 -59.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.251 0.548 . . . . 0.0 109.87 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.85 -35.45 62.36 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.671 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 96.28 -1.52 62.6 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 21.1 m -64.4 109.02 1.79 Allowed 'General case' 0 N--CA 1.428 -1.525 0 C-N-CA 123.746 0.819 . . . . 0.0 111.436 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.7 tp -95.99 127.22 41.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 89.6 mt -110.18 115.77 30.32 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.3 m -124.82 163.28 25.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2049 ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 71.56 -151.91 48.67 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -85.21 17.26 3.11 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.41 -17.39 27.29 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -93.01 152.28 41.27 Favored Pre-proline 0 N--CA 1.438 -1.048 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.552 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.0 154.95 47.96 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.46 2.107 . . . . 0.0 113.003 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -71.84 151.2 43.62 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -57.31 -33.96 68.22 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 122.505 0.322 . . . . 0.0 111.257 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.96 76.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.766 0.317 . . . . 0.0 111.789 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.23 -4.49 25.65 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.43 -52.02 64.98 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.456 1.102 . . . . 0.0 112.017 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.78 -36.44 74.42 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 25.2 ttt -74.22 -41.23 61.69 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.445 0.641 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 65.2 t90 -68.46 -49.49 59.42 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.971 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.33 -32.25 72.13 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.24 -37.14 71.83 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.99 9.11 57.96 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.952 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.5 m80 -143.95 63.93 12.3 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 123.237 0.615 . . . . 0.0 110.113 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.47 -4.55 15.16 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.098 1.865 . . . . 0.0 113.46 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -86.37 -13.96 44.87 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -97.76 140.35 32.27 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.598 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.17 173.24 11.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.4 p -70.28 137.0 24.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.448 0.467 . . . . 0.0 111.207 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.7 t70 -56.7 123.73 59.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.06 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.14 -30.11 90.63 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 123.198 2.599 . . . . 0.0 112.31 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.465 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 45.4 ttt180 -68.06 -41.04 82.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.04 -36.26 82.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.2 -40.48 94.12 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.758 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.04 70.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.557 0.343 . . . . 0.0 111.156 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.07 -46.64 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.32 0.581 . . . . 0.0 109.643 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.502 -179.723 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.86 -16.5 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 13.9 t -68.37 156.87 36.93 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.233 0.539 . . . . 0.0 109.679 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -103.62 106.67 17.25 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.27 115.39 40.53 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.57 133.48 27.98 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 121.952 1.768 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -127.97 152.43 36.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.046 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.23 136.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -73.31 118.13 15.89 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -67.92 -19.77 65.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 61.5 t -88.72 -59.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.228 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.17 -44.73 29.14 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.368 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.34 5.18 37.48 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.299 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 80.7 m -58.39 115.19 2.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 67.3 tp -106.65 126.41 52.24 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.421 HD21 ' OD2' ' A' 2051 ' ' ASP . 54.6 mt -107.76 115.62 30.48 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 20.4 m -131.9 168.19 24.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 73.32 -134.09 19.04 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.77 -11.82 52.55 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.419 0.628 . . . . 0.0 111.021 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2051 ' ' ASP . . . . . 0.421 ' OD2' HD21 ' A' 2047 ' ' LEU . 2.8 t70 -77.21 -25.91 52.21 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.294 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -74.03 140.75 77.36 Favored Pre-proline 0 N--CA 1.427 -1.605 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.445 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.94 144.86 89.14 Favored 'Trans proline' 0 C--O 1.24 0.608 0 C-N-CA 122.792 2.328 . . . . 0.0 113.311 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.453 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 9.8 ttm180 -64.03 138.96 58.71 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -52.87 -38.33 61.45 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.68 -26.05 68.46 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2057 ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 12.9 pt-20 -111.41 -6.9 14.41 Favored 'General case' 0 C--O 1.208 -1.098 0 O-C-N 122.3 -0.25 . . . . 0.0 110.809 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.1 -47.38 61.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.108 1.363 . . . . 0.0 110.878 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.84 -44.27 90.93 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.395 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2060 ' ' MET . . . . . 0.494 ' O ' ' HB3' ' A' 2063 ' ' GLN . 65.0 mtt -75.42 -30.73 60.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.495 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.8 t90 -69.7 -45.47 68.17 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.136 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.15 -32.25 71.97 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.073 0.549 . . . . 0.0 111.169 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.494 ' HB3' ' O ' ' A' 2060 ' ' MET . 34.1 tt0 -55.18 -32.88 62.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.496 0.718 . . . . 0.0 110.257 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -104.46 -3.9 43.7 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.06 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.0 m80 -140.62 78.83 20.69 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.29 7.81 4.75 Favored 'Trans proline' 0 C--O 1.219 -0.471 0 C-N-CA 122.991 2.461 . . . . 0.0 113.229 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -101.03 4.73 42.61 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.46 0.648 . . . . 0.0 110.093 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -114.46 149.91 35.59 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.481 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -139.78 168.01 20.8 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.0 p -64.44 138.81 22.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 O-C-N 123.463 0.477 . . . . 0.0 110.844 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 21.1 t0 -62.16 120.89 62.17 Favored Pre-proline 0 C--O 1.244 0.767 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.124 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.55 -22.7 67.88 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.554 2.836 . . . . 0.0 112.427 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.46 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 31.1 mtp-105 -72.08 -33.57 68.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 0.0 109.809 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 86.5 t80 -71.59 -33.06 68.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.05 -33.42 73.57 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.14 70.57 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.931 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 49.7 t80 -66.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 110.004 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 C--N 1.315 -0.922 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.474 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' 2054 ' ' ARG . 32.3 mt-10 -91.84 7.08 43.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.419 -0.8 . . . . 0.0 111.726 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 22.5 m -66.61 129.8 41.07 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' A' 2052 ' ' ALA . 53.3 mtt180 -84.04 102.68 12.68 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 120.743 0.306 . . . . 0.0 110.283 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.442 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.1 mm -73.89 128.4 86.7 Favored Pre-proline 0 C--N 1.311 -1.083 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -66.06 128.72 20.2 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 121.937 1.758 . . . . 0.0 110.701 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.6 m -123.82 143.09 38.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.712 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2039 ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' 2068 ' ' PHE . 10.8 tt -121.51 136.84 57.12 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -78.24 114.68 17.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 173.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 33.5 t -85.32 -51.37 13.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.9 -59.71 2.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.699 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 124.22 -12.33 8.05 Favored Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.073 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 93.6 m -62.96 122.34 15.79 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 117.184 0.492 . . . . 0.0 111.689 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.4 tp -96.42 126.88 41.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' 2052 ' ' ALA . 48.5 mt -98.29 110.83 23.34 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.021 0.439 . . . . 0.0 109.981 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 17.4 m -129.26 175.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 71.88 -123.52 9.8 Favored Glycine 0 C--N 1.3 -1.435 0 C-N-CA 120.093 -1.051 . . . . 0.0 111.178 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -98.49 -1.44 41.26 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.615 0.721 . . . . 0.0 110.228 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.65 -28.09 36.97 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.213 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.492 ' O ' ' HD3' ' A' 2035 ' ' ARG . . . -82.46 134.76 47.62 Favored Pre-proline 0 C--N 1.299 -1.595 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.502 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -81.02 162.1 20.66 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 122.481 2.121 . . . . 0.0 112.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 38.0 ptt180 -74.88 146.41 41.91 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.442 ' HD3' HG13 ' A' 2036 ' ' ILE . 16.1 tpt180 -49.72 -37.41 29.17 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 124.428 1.091 . . . . 0.0 112.148 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 122.984 0.513 . . . . 0.0 112.041 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.83 -21.37 18.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.13 -46.09 33.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.075 1.75 . . . . 0.0 112.906 -174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' 2063 ' ' GLN . 11.5 mm-40 -54.5 -57.5 11.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.222 0.534 . . . . 0.0 111.509 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 67.2 mtt -67.93 -35.87 79.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.395 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.5 t90 -64.92 -41.92 95.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.909 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.22 -32.65 74.31 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' 2059 ' ' GLU . 51.5 mt-30 -64.32 -37.46 87.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.223 0.535 . . . . 0.0 109.894 176.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.82 -14.57 82.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 115.674 -0.693 . . . . 0.0 113.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -139.06 86.24 15.11 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 122.821 0.448 . . . . 0.0 110.831 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -69.82 -8.94 24.86 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.379 2.052 . . . . 0.0 111.434 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.01 -41.79 97.36 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.346 1.058 . . . . 0.0 108.986 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2068 ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' 2039 ' ' ILE . 77.1 m-85 -95.68 142.87 27.48 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.568 -175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.21 168.63 19.35 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -63.87 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 O-C-N 123.551 0.532 . . . . 0.0 109.757 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.568 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.4 t70 -58.4 120.3 43.2 Favored Pre-proline 0 C--O 1.247 0.932 0 O-C-N 123.711 0.632 . . . . 0.0 112.396 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.06 -21.94 67.95 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.161 2.574 . . . . 0.0 112.624 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.568 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 55.3 ttt180 -70.57 -51.41 28.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.7 t80 -52.92 -43.86 66.56 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 123.671 0.788 . . . . 0.0 110.878 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.71 -50.44 73.88 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.929 0.395 . . . . 0.0 111.364 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.89 76.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.936 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -69.92 -44.46 69.6 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.515 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 55.6 ttp . . . . . 0 C--O 1.242 0.692 0 C-N-CA 123.214 0.605 . . . . 0.0 111.571 -177.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.31 -9.88 59.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.588 0.708 . . . . 0.0 110.377 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.77 147.84 52.72 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.66 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' 2049 ' ' GLY . 0.0 OUTLIER -103.24 124.09 47.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.471 178.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.406 HG13 ' HD3' ' A' 2055 ' ' ARG . 51.4 mm -87.87 128.5 53.92 Favored Pre-proline 0 C--N 1.296 -1.757 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.09 124.61 12.85 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 122.058 1.838 . . . . 0.0 110.409 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 26.6 m -118.69 150.55 20.93 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.3 tt -132.68 136.13 56.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-O 121.132 0.492 . . . . 0.0 110.893 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -79.23 120.26 23.47 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.68 -30.14 64.0 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.97 0.414 . . . . 0.0 111.913 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 43.9 t -78.0 -54.01 13.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.9 -34.42 22.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 92.56 12.43 58.28 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 8.6 m -70.95 113.52 8.08 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 114.967 -0.617 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.8 tp -100.6 123.25 44.56 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.22 114.59 28.87 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 30.3 m -126.93 168.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.841 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2049 ' ' GLY . . . . . 0.535 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 73.64 -147.99 39.49 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.65 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.75 8.37 20.11 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.053 0.454 . . . . 0.0 111.696 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.14 -12.5 26.32 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.952 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.88 150.39 45.49 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.856 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.07 143.06 58.35 Favored 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.359 2.039 . . . . 0.0 112.696 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' 2057 ' ' GLU . 79.0 ttt180 -69.8 140.1 53.28 Favored 'General case' 0 N--CA 1.427 -1.598 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.406 ' HD3' HG13 ' A' 2036 ' ' ILE . 12.5 tpt180 -54.77 -32.52 60.12 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.56 0.618 . . . . 0.0 112.506 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.9 -28.97 69.3 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2057 ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' 2054 ' ' ARG . 15.1 pt-20 -104.92 -7.38 19.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.904 -0.497 . . . . 0.0 110.173 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.41 -45.57 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 113.393 -170.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.32 -52.59 57.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.49 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2060 ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' 2060 ' ' MET . 13.3 mmt -63.68 -33.17 75.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.944 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.58 -50.93 65.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.682 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.47 -32.99 71.94 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.26 -31.13 71.66 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.901 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -94.2 -11.14 57.75 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -128.51 79.78 73.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -69.88 -21.1 33.41 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 113.069 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.25 -17.51 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.662 0.744 . . . . 0.0 109.448 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -99.79 153.09 19.4 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.117 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -148.25 171.85 15.3 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 3.2 p -75.6 141.99 15.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' 2073 ' ' ARG . 12.2 t70 -51.29 118.1 10.21 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 110.559 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -65.26 -26.61 56.44 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.885 2.39 . . . . 0.0 112.631 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.572 ' HB3' ' OD1' ' A' 2071 ' ' ASP . 10.6 ttp180 -72.12 -39.7 68.66 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.983 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 69.9 t80 -66.24 -32.17 73.43 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.2 -38.71 88.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.389 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -68.92 -35.64 77.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.722 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 56.2 t80 -55.93 -35.49 66.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.08 0.952 . . . . 0.0 110.385 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.473 0.684 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.729 178.673 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.33 12.54 5.27 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -172.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.2 t -117.63 173.74 6.56 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -111.13 119.4 38.87 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.419 HG12 ' HB2' ' A' 2055 ' ' ARG . 50.4 mm -94.46 125.58 51.34 Favored Pre-proline 0 C--N 1.306 -1.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.856 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.28 135.62 43.88 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.926 1.751 . . . . 0.0 110.883 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 18.4 m -125.89 157.52 35.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.871 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -131.78 137.11 55.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -80.29 118.2 21.74 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -74.13 -21.78 59.73 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 47.4 t -87.25 -50.9 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -83.92 -58.06 2.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 0.0 111.479 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.55 -6.2 9.16 Favored Glycine 0 C--N 1.306 -1.085 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.829 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -53.25 119.0 4.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.375 0.67 . . . . 0.0 110.659 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.06 122.76 45.95 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 86.7 mt -104.88 118.22 35.99 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.0 m -129.71 157.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.95 -119.39 6.81 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.43 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -89.67 -9.65 48.76 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 121.462 0.648 . . . . 0.0 110.797 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.08 -18.2 43.91 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.272 176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -95.98 131.2 29.48 Favored Pre-proline 0 N--CA 1.416 -2.131 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.257 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.61 161.23 46.09 Favored 'Trans proline' 0 C--O 1.251 1.158 0 C-N-CA 122.472 2.115 . . . . 0.0 113.856 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' 2057 ' ' GLU . 23.2 tpp180 -65.37 137.77 57.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.169 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.433 HH12 ' HB2' ' A' 2059 ' ' GLU . 40.4 tpt85 -58.02 -32.56 68.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.352 0.523 . . . . 0.0 111.531 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.6 -29.06 70.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 111.841 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2057 ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.3 pt-20 -103.87 -12.2 17.04 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.356 0.598 . . . . 0.0 110.775 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.58 -41.89 95.97 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -167.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.433 ' HB2' HH12 ' A' 2055 ' ' ARG . 39.7 tt0 -64.22 -51.38 63.96 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.085 0.469 . . . . 0.0 111.121 -171.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 1.7 mpt? -64.92 -27.94 69.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.144 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 73.7 t90 -70.24 -48.59 56.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.019 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.2 -35.71 81.69 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.161 0.505 . . . . 0.0 111.209 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -64.15 -32.08 73.51 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 123.756 0.822 . . . . 0.0 110.703 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.46 3.84 61.63 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.514 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 66.7 m80 -144.68 84.09 9.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.42 -9.66 26.8 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.758 2.306 . . . . 0.0 112.902 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.85 -29.91 66.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -102.76 140.22 37.31 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.66 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -138.98 164.79 28.81 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.5 p -64.18 140.55 19.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 O-C-N 123.548 0.53 . . . . 0.0 110.315 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.51 118.33 21.72 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 123.05 0.54 . . . . 0.0 111.847 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.58 -20.53 40.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.979 2.453 . . . . 0.0 112.069 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -70.58 -42.31 71.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 91.4 t80 -65.66 -43.41 89.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.172 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.83 -45.66 89.49 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.891 0.377 . . . . 0.0 110.706 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.24 95.98 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.273 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -61.66 -37.13 82.93 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.438 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 120.859 0.362 . . . . 0.0 110.295 178.368 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.61 -17.24 27.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 18.6 m -69.08 140.64 54.84 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.832 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' 2035 ' ' ARG . 0.8 OUTLIER -86.05 110.1 19.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.479 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.456 HG13 ' HD3' ' A' 2055 ' ' ARG . 48.7 mm -78.39 122.69 85.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.36 131.92 31.79 Favored 'Trans proline' 0 C--O 1.25 1.092 0 C-N-CA 122.541 2.161 . . . . 0.0 111.426 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.7 m -128.35 152.35 36.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.484 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2039 ' ' ILE . . . . . 0.42 HG12 ' N ' ' A' 2040 ' ' ASN . 11.7 tt -132.26 156.86 42.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2040 ' ' ASN . . . . . 0.448 ' OD1' ' HB ' ' A' 2045 ' ' THR . 1.1 m120 -51.45 142.57 13.48 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.537 0.735 . . . . 0.0 112.507 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2041 ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' 2066 ' ' PRO . 7.5 mmmm -71.23 -17.11 62.51 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.78 170.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 32.1 t -86.06 -20.92 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 75.78 90.46 0.08 Allowed 'General case' 0 CA--C 1.466 -2.258 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.628 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -171.9 -69.32 0.04 OUTLIER Glycine 0 N--CA 1.404 -3.469 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.404 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2045 ' ' THR . . . . . 0.448 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 84.3 m -73.24 107.09 5.37 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.987 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 61.6 tp -105.18 130.35 53.36 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.39 109.59 18.56 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 27.7 m -119.45 164.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.0 -132.45 19.35 Favored Glycine 0 N--CA 1.421 -2.308 0 C-N-CA 120.498 -0.858 . . . . 0.0 110.962 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.42 5.34 51.92 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.374 0.607 . . . . 0.0 110.846 -174.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -81.67 -28.49 33.53 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -84.18 152.29 61.39 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.555 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.65 159.76 12.36 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.669 2.246 . . . . 0.0 113.58 -176.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' 2057 ' ' GLU . 67.5 mtm180 -64.35 141.21 58.85 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.456 ' HD3' HG13 ' A' 2036 ' ' ILE . 46.2 tpt85 -49.23 -36.23 19.53 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.213 1.005 . . . . 0.0 113.364 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.83 78.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2057 ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' 2054 ' ' ARG . 16.1 pt-20 -86.38 -23.58 26.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 109.935 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.23 -42.52 40.81 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.451 1.901 . . . . 0.0 112.442 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.83 -46.44 85.03 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.001 0.905 . . . . 0.0 109.767 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.84 -36.15 75.34 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.737 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.0 t90 -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.255 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.17 -32.99 74.77 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.55 0.34 . . . . 0.0 111.377 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.26 -46.43 90.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.78 -20.22 79.58 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.102 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 69.2 m80 -136.18 81.22 38.76 Favored Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 117.226 0.513 . . . . 0.0 110.361 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2066 ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' A' 2041 ' ' LYS . 57.3 Cg_endo -74.88 3.37 5.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.93 2.42 . . . . 0.0 113.189 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' 2040 ' ' ASN . 12.3 pt-20 -89.64 8.66 30.33 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.145 0.498 . . . . 0.0 110.43 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.03 152.98 47.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.468 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -150.1 168.44 23.91 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.97 142.38 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.657 0.598 . . . . 0.0 111.727 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 10.7 t70 -64.08 128.83 93.52 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.608 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.34 -30.16 87.12 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.237 2.625 . . . . 0.0 113.574 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.451 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 70.4 ttt180 -68.9 -43.94 74.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 92.1 t80 -55.89 -48.24 75.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.131 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.01 -24.91 60.81 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.04 -32.17 73.63 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.004 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -69.3 -32.2 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.742 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.109 175.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.44 -16.17 49.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.024 -1.07 . . . . 0.0 113.503 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 31.8 m -66.05 136.47 56.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' 2035 ' ' ARG . 5.9 mpt_? -87.61 123.27 32.3 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.24 125.04 80.23 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.015 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.92 116.12 3.25 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.312 2.008 . . . . 0.0 111.566 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -112.69 142.04 26.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.449 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 13.5 tt -126.33 137.69 56.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-O 121.303 0.573 . . . . 0.0 111.518 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -71.31 113.5 8.4 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.13 -15.55 61.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 50.1 t -85.53 -56.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.52 -59.43 2.32 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.745 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 127.8 -2.07 6.9 Favored Glycine 0 C--N 1.305 -1.192 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.585 -173.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 51.3 m -57.63 110.58 0.91 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.099 0.56 . . . . 0.0 111.121 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 58.2 tp -99.68 128.82 45.77 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.4 128.91 48.79 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 21.0 m -137.63 161.65 33.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.15 -125.74 27.58 Favored Glycine 0 N--CA 1.438 -1.206 0 O-C-N 123.673 0.608 . . . . 0.0 111.94 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.15 -2.85 58.92 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.732 0.777 . . . . 0.0 110.759 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.56 -11.2 37.97 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.938 0.875 . . . . 0.0 108.936 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -101.74 152.02 38.03 Favored Pre-proline 0 N--CA 1.427 -1.578 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -81.65 142.45 12.88 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 121.95 1.766 . . . . 0.0 112.125 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.99 141.75 53.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 16.6 tpt85 -51.44 -33.66 31.73 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.23 94.97 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.177 0.591 . . . . 0.0 112.249 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -96.55 -21.28 17.77 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.78 -34.48 62.71 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.125 1.77 . . . . 0.0 112.41 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' 2063 ' ' GLN . 9.3 tp10 -59.66 -49.45 77.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.307 0.38 . . . . 0.0 109.976 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.38 -45.97 72.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.857 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -67.03 -44.3 80.61 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.271 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . 0.276 35.1 mt -67.58 -30.38 69.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 176.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' 2059 ' ' GLU . 29.6 mm-40 -54.83 -39.19 68.29 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -79.92 -33.34 33.66 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.522 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . 0.269 39.3 p-80 37.67 85.09 0.17 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 125.402 1.481 . . . . 0.0 114.45 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.39 -61.57 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.117 1.878 . . . . 0.0 112.255 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.96 24.56 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 122.442 1.115 . . . . 0.0 108.415 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.73 150.99 39.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.919 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.97 171.61 13.83 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 65.7 t -71.24 137.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.62 119.09 22.5 Favored Pre-proline 0 C--O 1.245 0.848 0 C-N-CA 123.771 0.828 . . . . 0.0 111.853 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.0 -30.69 90.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 123.546 2.831 . . . . 0.0 112.812 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.23 77.2 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.0 t80 -62.79 -48.41 79.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.006 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' 2078 ' ' MET 0.267 4.3 pp -69.07 -23.4 64.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -73.48 -36.24 65.78 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.77 -35.99 79.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.436 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2078 ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' 2075 ' ' LEU . 28.0 ptm . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2032 ' ' LEU . . . . . 0.521 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 3.6 pp . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -87.45 -17.67 31.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.892 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 23.9 m -79.85 149.89 30.83 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.529 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -84.15 117.5 23.52 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.5 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.453 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 49.9 mm -82.85 122.35 78.08 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.766 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2037 ' ' PRO . . . . . 0.535 ' HA ' ' O ' ' A' 2047 ' ' LEU . 29.2 Cg_endo -66.77 123.86 11.58 Favored 'Trans proline' 0 N--CA 1.437 -1.845 0 C-N-CA 121.547 1.498 . . . . 0.0 110.121 175.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 13.4 m -124.02 148.01 28.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.592 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2039 ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' 2068 ' ' PHE . 15.1 tt -115.88 134.91 57.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.44 121.63 23.36 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 68.8 mttt -61.96 -38.96 90.46 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 123.774 0.671 . . . . 0.0 110.934 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 45.8 t -73.08 -56.58 9.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.878 -172.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.72 -42.58 12.53 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 109.18 3.5 31.32 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.188 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 5.7 m -57.39 117.15 3.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.609 0.764 . . . . 0.0 109.677 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 47.4 tp -107.16 121.49 44.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' 2037 ' ' PRO . 72.1 mt -98.26 116.67 30.96 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 35.9 m -129.88 163.17 36.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 O-C-N 123.326 0.392 . . . . 0.0 110.176 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.63 -101.42 0.4 Allowed Glycine 0 CA--C 1.516 0.155 0 O-C-N 123.755 0.659 . . . . 0.0 114.449 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.35 -14.0 22.85 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.054 0.454 . . . . 0.0 112.136 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.36 -10.4 32.74 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 111.162 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -90.1 143.56 29.98 Favored Pre-proline 0 C--N 1.3 -1.582 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -83.06 149.24 13.58 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 122.264 1.976 . . . . 0.0 113.388 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.468 ' HB3' ' OE1' ' A' 2057 ' ' GLU . 37.2 ttm105 -64.74 131.08 45.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.521 ' HB3' ' HA ' ' A' 2032 ' ' LEU . 79.9 ttt180 -49.68 -38.16 31.62 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.63 -26.43 63.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.478 0.711 . . . . 0.0 112.028 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2057 ' ' GLU . . . . . 0.468 ' OE1' ' HB3' ' A' 2054 ' ' ARG . 26.6 mt-10 -100.74 -38.04 8.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.226 1.012 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2058 ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -48.33 -46.74 36.86 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 126.855 2.062 . . . . 0.0 113.381 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' 2063 ' ' GLN . 8.0 pt-20 -61.04 -43.3 99.09 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.534 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 63.6 mtt -70.77 -36.42 73.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.37 0.605 . . . . 0.0 109.405 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.36 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.88 -33.2 74.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.794 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' 2059 ' ' GLU . 24.2 mm-40 -63.18 -27.81 69.62 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.23 -8.32 86.96 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.304 176.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 82.55 0.23 Allowed Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 125.33 1.452 . . . . 0.0 113.479 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -90.92 5.59 4.04 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.348 2.032 . . . . 0.0 111.085 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 72.15 35.33 1.27 Allowed 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 124.898 1.279 . . . . 0.0 111.772 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2068 ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' 2039 ' ' ILE . 38.1 m-85 -111.92 139.78 47.13 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.68 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -120.42 162.25 19.84 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 60.1 t -74.57 132.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 7.8 t70 -51.77 121.02 17.32 Favored Pre-proline 0 C--O 1.251 1.183 0 C-N-CA 123.656 0.783 . . . . 0.0 112.331 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.73 -30.08 77.87 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.053 2.502 . . . . 0.0 112.001 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.462 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 11.4 ttp180 -63.29 -51.53 65.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.86 -52.53 56.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.105 0.962 . . . . 0.0 111.194 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.52 -29.78 68.44 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -74.81 -35.31 62.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.79 0.328 . . . . 0.0 110.993 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.99 -47.28 65.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.814 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.661 0.743 . . . . 0.0 110.022 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.91 -17.19 28.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.132 0.491 . . . . 0.0 111.447 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.7 m -71.5 132.3 44.53 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 53.1 mtt180 -79.65 111.92 16.41 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.145 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.54 116.84 66.07 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.005 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.66 124.63 9.91 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 C-N-CA 121.856 1.704 . . . . 0.0 109.293 174.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -114.97 144.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.533 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2039 ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' 2045 ' ' THR . 13.3 tt -123.37 128.43 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.097 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.25 127.49 33.1 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2041 ' ' LYS . . . . . 0.475 ' HB3' ' HZ2' ' A' 2041 ' ' LYS . 9.5 mtpm? -64.32 -36.68 84.92 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 52.5 t -86.27 -59.05 2.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.307 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.35 -48.41 23.19 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 122.917 0.487 . . . . 0.0 111.823 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.56 10.8 28.34 Favored Glycine 0 C--N 1.306 -1.091 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2045 ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' 2039 ' ' ILE . 2.8 m -58.81 110.43 1.01 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.581 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.1 tp -106.74 121.6 44.7 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.334 0.588 . . . . 0.0 110.377 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 81.9 mt -107.37 115.44 30.17 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 31.0 m -124.56 153.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 55.54 -110.69 1.96 Allowed Glycine 0 C--O 1.224 -0.472 0 O-C-N 124.161 0.913 . . . . 0.0 114.571 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.03 -39.86 83.28 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 123.922 0.889 . . . . 0.0 112.442 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.68 1.65 57.15 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.382 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -102.9 122.69 44.79 Favored Pre-proline 0 N--CA 1.43 -1.425 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -73.51 154.8 50.4 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 121.617 1.545 . . . . 0.0 112.246 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 0.7 OUTLIER -65.24 146.85 54.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.478 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 22.6 tpt180 -49.21 -36.17 19.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.26 91.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.93 0.395 . . . . 0.0 111.211 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.18 -33.29 20.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.481 0.658 . . . . 0.0 110.392 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2058 ' ' LEU . . . . . 0.478 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -61.04 -33.05 72.68 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 111.545 -177.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.71 -53.95 52.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.511 0.672 . . . . 0.0 110.401 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 96.9 mmm -66.7 -27.56 67.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.055 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 77.2 t90 -71.66 -48.52 47.11 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.556 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.24 -31.75 70.49 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 122.807 0.443 . . . . 0.0 111.383 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -55.83 -36.28 67.32 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.818 176.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -85.07 -24.38 44.82 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.912 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -142.59 86.38 9.77 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.966 0.413 . . . . 0.0 111.312 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -79.12 11.93 2.45 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 112.245 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.15 -1.2 57.21 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.702 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -104.55 136.1 44.72 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.089 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -112.59 172.84 6.68 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -86.77 140.8 15.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.52 123.15 72.54 Favored Pre-proline 0 C--O 1.245 0.835 0 O-C-N 123.262 0.351 . . . . 0.0 111.582 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.97 -24.12 67.44 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.15 2.567 . . . . 0.0 113.701 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -78.76 -32.71 46.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.21 -36.14 83.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.1 -42.03 94.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.961 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.21 -20.99 66.4 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 121.516 0.674 . . . . 0.0 111.736 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.17 -31.73 70.56 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.531 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.715 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.25 11.2 1.0 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -172.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.5 t -134.5 169.28 17.5 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -93.31 131.83 38.08 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.32 112.84 57.18 Favored Pre-proline 0 C--N 1.3 -1.555 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2037 ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' 2047 ' ' LEU . 48.5 Cg_endo -70.4 120.76 7.39 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.504 1.469 . . . . 0.0 110.271 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.8 m -117.56 154.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.526 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.5 tt -127.67 131.52 69.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.1 129.67 40.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -69.58 -25.62 64.07 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 44.9 t -91.95 -48.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-O 121.052 0.453 . . . . 0.0 111.631 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -91.96 -33.06 15.01 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 94.64 15.2 47.36 Favored Glycine 0 C--N 1.305 -1.153 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.8 m -65.11 107.93 1.69 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 110.564 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2046 ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' 2047 ' ' LEU . 1.8 tm? -91.02 139.63 30.59 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' 2052 ' ' ALA . 76.5 mt -126.07 104.36 8.22 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.548 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2048 ' ' VAL . . . . . 0.418 HG11 HD13 ' A' 2046 ' ' LEU . 8.2 m -111.19 170.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 171.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.43 -132.91 44.95 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.351 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.77 -3.75 57.02 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.66 -24.04 45.4 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' 2047 ' ' LEU . . . -86.37 144.69 38.5 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.37 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.16 158.4 45.37 Favored 'Trans proline' 0 C--O 1.255 1.339 0 C-N-CA 122.166 1.911 . . . . 0.0 111.539 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -73.58 146.7 44.52 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' 2058 ' ' LEU . 10.0 tpt180 -59.4 -31.84 69.62 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 123.373 0.42 . . . . 0.0 110.794 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -52.77 -36.86 58.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.197 0.599 . . . . 0.0 112.21 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -117.18 9.74 13.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.778 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2058 ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -58.73 -57.4 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.854 0.462 . . . . 0.0 112.065 -173.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.94 -31.38 70.23 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.976 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 26.6 mmt -66.79 -35.55 80.35 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.641 0.734 . . . . 0.0 109.822 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 52.6 t90 -71.36 -46.33 60.72 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.026 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.81 -32.33 73.51 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.598 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.51 -29.79 68.12 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.733 0.813 . . . . 0.0 110.476 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -99.7 -16.11 29.77 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.562 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 5.6 t60 -151.84 87.65 4.34 Favored Pre-proline 0 C--N 1.31 -1.117 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -84.33 15.17 2.24 Favored 'Trans proline' 0 N--CA 1.481 0.75 0 C-N-CA 123.474 2.783 . . . . 0.0 113.667 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.14 6.76 27.75 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.935 0.398 . . . . 0.0 111.911 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.55 142.87 45.44 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.88 0.372 . . . . 0.0 111.018 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -117.52 167.32 11.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.1 p -83.77 143.26 12.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.14 129.77 88.73 Favored Pre-proline 0 C--O 1.245 0.841 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.001 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.56 -29.17 84.11 Favored 'Trans proline' 0 C--O 1.243 0.757 0 C-N-CA 123.299 2.666 . . . . 0.0 114.051 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.14 -21.3 43.31 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.001 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -71.31 -32.16 68.27 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 174.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.67 -36.17 83.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.263 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.73 85.88 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.145 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.928 0.491 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 C--N 1.311 -1.088 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.346 176.738 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.5 -10.43 59.55 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.37 0.605 . . . . 0.0 111.624 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 34.6 m -59.31 130.68 48.14 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 124.815 1.246 . . . . 0.0 110.015 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -85.84 95.51 9.46 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.404 HG13 ' HD3' ' A' 2055 ' ' ARG . 45.9 mm -74.56 122.95 88.66 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.095 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -68.15 139.87 47.67 Favored 'Trans proline' 0 C--O 1.245 0.863 0 C-N-CA 122.48 2.12 . . . . 0.0 111.947 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.7 m -126.12 154.49 35.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.206 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2039 ' ' ILE . . . . . 0.419 HG12 ' N ' ' A' 2040 ' ' ASN . 11.8 tt -139.52 157.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2040 ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' 2067 ' ' GLU . 1.1 m120 -55.51 140.81 39.28 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 167.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2041 ' ' LYS . . . . . 0.424 ' HE3' ' HB1' ' A' 2069 ' ' ALA . 45.7 mttp -74.46 -13.4 60.7 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.991 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -76.55 -19.83 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 73.0 89.17 0.09 Allowed 'General case' 0 CA--C 1.458 -2.559 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.257 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -165.18 -67.44 0.02 OUTLIER Glycine 0 N--CA 1.401 -3.636 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2045 ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' 2039 ' ' ILE . 85.9 m -73.68 100.97 3.51 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.889 -0.655 . . . . 0.0 110.329 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 58.8 tp -97.68 138.73 34.63 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' 2052 ' ' ALA . 84.6 mt -122.61 123.12 40.44 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 35.4 m -131.26 161.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.41 -125.27 17.39 Favored Glycine 0 C--N 1.315 -0.624 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -88.12 -4.41 58.76 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.99 0.424 . . . . 0.0 111.764 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.63 -22.75 40.28 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' 2047 ' ' LEU . . . -99.71 149.09 35.6 Favored Pre-proline 0 N--CA 1.433 -1.278 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.21 174.19 11.69 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.283 1.989 . . . . 0.0 112.409 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -79.94 159.38 26.34 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 174.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.404 ' HD3' HG13 ' A' 2036 ' ' ILE . 8.8 tpt180 -61.13 -32.62 72.32 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.334 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.24 66.94 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -102.95 -26.04 13.24 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.7 -51.4 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 126.64 1.976 . . . . 0.0 114.406 -169.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.24 -47.99 74.86 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.891 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 57.3 mtm -64.2 -39.84 94.82 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.998 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.66 -49.36 73.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.395 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.38 -33.7 76.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 120.775 0.321 . . . . 0.0 111.538 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -22.82 67.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.33 0.586 . . . . 0.0 110.897 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -106.3 8.92 41.77 Favored Glycine 0 N--CA 1.429 -1.806 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.014 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.3 m80 -142.53 82.55 12.61 Favored Pre-proline 0 C--N 1.318 -0.786 0 C-N-CA 122.729 0.412 . . . . 0.0 110.366 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -66.32 -22.54 52.81 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.258 1.972 . . . . 0.0 112.503 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' 2040 ' ' ASN . 14.5 pt-20 -78.29 -4.87 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.534 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2068 ' ' PHE . . . . . 0.473 ' CD2' ' HG3' ' A' 2067 ' ' GLU . 69.2 m-85 -120.95 156.66 31.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.424 ' HB1' ' HE3' ' A' 2041 ' ' LYS . . . -153.61 165.98 34.22 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -62.95 141.1 18.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.79 122.82 68.21 Favored Pre-proline 0 C--O 1.243 0.747 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.61 -25.16 54.86 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 112.21 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -77.36 -38.21 50.64 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.95 -39.32 91.73 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.43 -50.77 72.5 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.54 80.88 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.857 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.73 -41.71 91.89 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.02 0.928 . . . . 0.0 111.041 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -5.18 51.12 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 11.9 t -77.24 157.99 30.52 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 121.201 0.524 . . . . 0.0 110.669 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.09 102.74 15.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.76 121.7 82.18 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.561 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -67.93 116.62 4.4 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.062 1.841 . . . . 0.0 109.658 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.8 m -112.41 137.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2039 ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -120.65 129.95 75.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2040 ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 24.0 t-20 -69.9 129.55 39.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -73.4 -35.42 65.87 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2042 ' ' VAL . . . . . 0.412 HG13 ' OD1' ' A' 2040 ' ' ASN . 8.8 p -80.23 -48.65 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.674 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.98 -53.83 6.64 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.743 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 108.67 8.52 28.23 Favored Glycine 0 C--N 1.293 -1.81 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.554 -175.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2045 ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' 2039 ' ' ILE . 21.1 m -62.98 112.14 2.46 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.2 tp -100.26 115.66 30.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.93 127.84 37.55 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.7 m -129.58 156.24 41.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 74.5 -148.13 38.3 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.381 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -71.8 -8.02 51.74 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.433 0.635 . . . . 0.0 111.413 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.5 -18.27 49.08 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.851 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -95.94 146.68 31.73 Favored Pre-proline 0 N--CA 1.432 -1.369 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.87 143.35 79.43 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 121.874 1.716 . . . . 0.0 111.377 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -71.84 145.11 48.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -49.15 -36.02 18.21 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.44 96.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.036 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.23 -45.7 17.54 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.04 -39.24 19.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.44 1.896 . . . . 0.0 111.575 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.61 -52.83 63.87 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2060 ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' 2063 ' ' GLN . 1.0 OUTLIER -75.1 -32.49 61.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 53.8 t90 -57.9 -56.37 22.85 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.021 1.328 . . . . 0.0 110.536 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.5 -33.12 59.31 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.727 0.642 . . . . 0.0 112.386 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' 2060 ' ' MET . 8.9 tt0 -58.36 -44.97 89.03 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.879 0.872 . . . . 0.0 112.277 -177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.65 -15.96 27.86 Favored Glycine 0 C--N 1.302 -1.346 0 C-N-CA 119.655 -1.259 . . . . 0.0 112.232 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 30.1 t60 -158.15 92.28 2.12 Favored Pre-proline 0 C--N 1.297 -1.688 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2066 ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' 2068 ' ' PHE . 12.6 Cg_endo -78.19 -80.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.404 -3.736 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 172.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 51.39 -35.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.052 2.541 . . . . 0.0 114.545 -173.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2068 ' ' PHE . . . . . 0.554 ' H ' ' C ' ' A' 2066 ' ' PRO . 31.3 m-85 -105.71 172.42 6.81 Favored 'General case' 0 C--N 1.247 -3.883 0 C-N-CA 127.713 2.405 . . . . 0.0 106.658 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -146.0 162.28 38.22 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 5.4 p -70.1 134.22 30.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.3 124.73 62.33 Favored Pre-proline 0 C--O 1.248 1.016 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.15 -22.81 53.67 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.699 2.266 . . . . 0.0 114.094 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.616 ' O ' ' HD3' ' A' 2073 ' ' ARG . 0.1 OUTLIER -81.49 -31.44 32.9 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.96 -38.82 92.6 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.125 0.488 . . . . 0.0 109.809 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.61 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.327 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.64 -38.85 91.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.348 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.219 179.568 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -99.78 -17.76 17.54 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.757 0.708 . . . . 0.0 112.006 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.5 m -65.14 136.78 57.1 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' A' 2052 ' ' ALA . 14.1 mmt180 -82.79 102.56 11.66 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2036 ' ' ILE . . . . . 0.408 ' O ' ' HB1' ' A' 2052 ' ' ALA . 47.7 mm -72.54 116.36 48.8 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.659 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2037 ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' 2047 ' ' LEU . 5.5 Cg_exo -70.32 118.82 5.9 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 121.918 1.745 . . . . 0.0 109.495 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -117.56 147.08 21.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.883 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.8 tt -124.06 133.8 68.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.98 124.59 24.44 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -67.96 -25.19 65.32 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 51.5 t -89.73 -58.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.91 -47.82 15.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.29 0.567 . . . . 0.0 111.974 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.63 12.37 22.99 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -174.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.8 m -65.45 113.0 3.82 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 57.0 tp -97.99 126.27 43.33 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' 2037 ' ' PRO . 79.5 mt -104.93 124.81 50.13 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 19.7 m -130.41 171.54 17.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 O-C-N 123.737 0.648 . . . . 0.0 109.558 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 57.64 -132.16 52.42 Favored Glycine 0 N--CA 1.446 -0.643 0 O-C-N 123.42 0.45 . . . . 0.0 112.505 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.4 5.75 43.78 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.48 -18.43 23.21 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.476 ' O ' ' HD2' ' A' 2035 ' ' ARG . . . -83.56 142.81 43.29 Favored Pre-proline 0 N--CA 1.417 -2.097 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.86 146.0 58.25 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.229 1.953 . . . . 0.0 112.339 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' 2057 ' ' GLU . 46.3 ttt180 -71.56 138.23 48.65 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 174.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.407 ' HD3' HG13 ' A' 2036 ' ' ILE . 20.6 tpt180 -49.41 -32.83 12.45 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 123.751 0.82 . . . . 0.0 113.0 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -61.98 -35.89 79.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2057 ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.0 pt-20 -94.92 -16.83 22.53 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.6 -40.17 74.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 111.338 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.17 -41.66 93.29 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.543 0.687 . . . . 0.0 111.051 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 61.5 mtt -75.21 -40.8 58.85 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.928 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 25.5 t90 -65.12 -48.46 73.54 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.366 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 39.8 mt -68.1 -34.41 76.33 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.06 -21.62 63.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.841 0.829 . . . . 0.0 109.343 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -78.4 -0.65 79.27 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.333 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 36.7 m80 61.97 76.52 0.39 Allowed Pre-proline 0 N--CA 1.466 0.363 0 C-N-CA 125.371 1.468 . . . . 0.0 113.1 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -95.74 -8.15 1.33 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.028 1.819 . . . . 0.0 112.159 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 69.83 28.68 4.26 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.254 1.421 . . . . 0.0 111.581 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.6 153.82 21.8 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.829 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -132.03 162.38 30.9 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -72.96 137.89 22.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 123.292 0.37 . . . . 0.0 110.965 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.442 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.4 t70 -62.94 128.25 91.86 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.21 -24.26 76.05 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.541 2.828 . . . . 0.0 113.898 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.442 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 40.9 ttm180 -73.58 -38.03 65.3 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.87 -35.25 78.2 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.877 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 86.3 mt -60.57 -44.1 96.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.0 85.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.426 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.54 -38.55 87.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.105 0.562 . . . . 0.0 110.983 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 C--N 1.319 -0.748 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.139 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 N--CA 1.504 2.238 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.79 -12.57 59.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.259 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 9.1 m -61.01 126.91 29.09 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2035 ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 6.2 mpt_? -81.87 113.81 20.05 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 37.0 mm -83.27 118.56 71.97 Favored Pre-proline 0 C--N 1.309 -1.195 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.13 138.78 74.64 Favored 'Trans proline' 0 C--O 1.247 0.975 0 C-N-CA 122.48 2.12 . . . . 0.0 112.104 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.9 m -131.04 152.73 38.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.226 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.9 tt -130.63 128.92 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.455 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2040 ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 26.7 t-20 -73.59 123.37 23.85 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2041 ' ' LYS . . . . . 0.466 ' HZ3' ' HB3' ' A' 2041 ' ' LYS . 2.5 mmmp? -73.96 -21.35 60.05 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -173.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 42.6 t -85.91 -48.87 15.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.78 -37.32 11.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 97.06 27.06 9.69 Favored Glycine 0 C--N 1.296 -1.647 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 3.0 m -73.61 105.08 4.79 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.8 tp -98.21 124.43 42.78 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.094 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 84.4 mt -108.73 114.97 29.2 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 18.5 m -127.59 172.33 14.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 122.868 0.467 . . . . 0.0 109.816 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.68 -118.0 10.09 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.66 7.85 26.72 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.111 0.481 . . . . 0.0 110.346 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.46 -25.6 61.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -91.92 144.09 28.74 Favored Pre-proline 0 N--CA 1.427 -1.616 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.751 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -70.93 158.65 54.85 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.451 2.101 . . . . 0.0 112.518 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2054 ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 26.4 ptt180 -70.28 146.74 50.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -47.78 -41.06 22.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.913 1.685 . . . . 0.0 112.429 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.97 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.183 0.927 . . . . 0.0 111.513 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -93.94 -36.06 12.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.714 0.769 . . . . 0.0 110.36 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.7 -40.0 68.72 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.819 1.648 . . . . 0.0 112.944 -173.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -61.54 -44.35 97.2 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.867 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 50.7 ttm -71.89 -37.81 70.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.186 0.517 . . . . 0.0 109.672 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 68.7 t90 -60.1 -44.61 94.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.54 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.99 -38.81 92.19 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.642 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.11 -28.53 68.88 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -69.59 -14.22 69.41 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.238 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 71.29 79.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 125.232 1.413 . . . . 0.0 112.038 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -93.83 6.23 2.72 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.411 2.074 . . . . 0.0 110.423 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 74.82 13.16 3.5 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.665 1.586 . . . . 0.0 111.088 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2068 ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' 2040 ' ' ASN . 34.2 m-85 -103.46 144.64 31.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.707 174.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -121.32 160.33 24.19 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 6.7 p -69.3 131.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 O-C-N 123.731 0.644 . . . . 0.0 109.862 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.49 117.87 23.77 Favored Pre-proline 0 C--O 1.243 0.741 0 O-C-N 123.7 0.625 . . . . 0.0 110.454 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.19 -16.22 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.643 2.228 . . . . 0.0 113.678 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -80.48 -33.59 36.51 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.324 0.583 . . . . 0.0 109.557 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 59.9 t80 -71.72 -32.02 67.34 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.513 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.98 -32.73 69.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.59 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.1 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.34 -32.66 66.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.215 0.531 . . . . 0.0 110.362 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.793 178.618 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 2032 ' ' LEU . . . . . 0.47 ' C ' ' HG3' ' A' 2055 ' ' ARG . 89.0 mt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.05 0.452 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.24 -16.24 10.96 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.577 0.703 . . . . 0.0 110.767 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2034 ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' 2055 ' ' ARG . 27.9 m -101.83 122.41 43.93 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.285 -0.871 . . . . 0.0 108.922 -176.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -65.45 148.92 50.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 118.153 0.433 . . . . 0.0 110.6 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 38.8 mm -102.94 117.36 60.73 Favored Pre-proline 0 C--N 1.302 -1.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.913 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2037 ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' 2047 ' ' LEU . 3.5 Cg_exo -70.71 125.25 11.46 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.759 1.639 . . . . 0.0 109.804 175.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 31.3 m -117.82 148.95 20.29 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.417 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.7 tt -122.91 137.69 55.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.953 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.27 122.93 21.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.13 -28.48 67.92 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.1 t -98.98 -59.87 3.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-O 121.081 0.467 . . . . 0.0 111.869 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -79.12 -25.04 43.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -171.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 91.84 16.49 51.4 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 120.108 -1.044 . . . . 0.0 112.057 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -65.09 114.15 4.42 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.6 tp -108.52 119.6 40.0 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.169 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2047 ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' 2037 ' ' PRO . 68.5 mt -98.4 111.32 23.7 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.289 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.2 m -124.59 168.46 17.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.675 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.7 -139.84 32.28 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.365 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.74 -0.4 38.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.764 0.792 . . . . 0.0 111.902 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.57 -6.0 37.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.866 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2052 ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -87.54 135.52 34.14 Favored Pre-proline 0 N--CA 1.424 -1.742 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 53.5 Cg_exo -55.6 158.33 13.4 Favored 'Trans proline' 0 C--O 1.258 1.487 0 C-N-CA 124.069 3.179 . . . . 0.0 115.12 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -67.47 121.03 14.92 Favored 'General case' 0 N--CA 1.406 -2.625 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.419 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2055 ' ' ARG . . . . . 0.602 ' H ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -48.74 -47.42 41.48 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 125.218 1.407 . . . . 0.0 113.312 -176.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.79 -26.2 68.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -97.28 -19.34 18.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.666 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.64 -39.28 61.61 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 124.721 1.208 . . . . 0.0 112.055 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' 2063 ' ' GLN . 23.6 mt-10 -55.84 -55.19 35.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.683 0.754 . . . . 0.0 109.525 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 47.0 ttm -67.84 -37.66 82.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.31 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 21.9 t90 -60.47 -44.94 95.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.206 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 63.1 mt -67.77 -32.96 73.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.721 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.6 mm100 -63.69 -30.46 71.56 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.09 -28.01 65.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 25.0 t-80 64.57 87.18 0.12 Allowed Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.831 1.652 . . . . 0.0 112.519 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -98.11 25.44 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.948 3.099 . . . . 0.0 111.67 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 83.82 -8.9 1.02 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.549 1.939 . . . . 0.0 111.289 -177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.61 152.64 18.85 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.474 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -141.27 177.06 8.35 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 30.3 m -72.33 146.96 10.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 118.308 0.504 . . . . 0.0 110.785 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2071 ' ' ASP . . . . . 0.515 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 2.0 t70 -69.27 128.28 92.53 Favored Pre-proline 0 C--N 1.304 -1.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.218 177.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.79 -26.31 79.74 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.062 2.508 . . . . 0.0 113.0 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2073 ' ' ARG . . . . . 0.515 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 36.8 ttm180 -74.19 -32.99 63.29 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2074 ' ' PHE . . . . . 0.545 ' O ' ' HB3' ' A' 2077 ' ' TYR . 67.2 t80 -69.6 -34.98 74.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.928 0.891 . . . . 0.0 110.106 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.62 -37.34 86.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.238 0.542 . . . . 0.0 110.113 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.86 70.45 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.711 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2077 ' ' TYR . . . . . 0.545 ' HB3' ' O ' ' A' 2074 ' ' PHE . 57.7 t80 -54.76 -48.22 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.331 0.653 . . . . 0.0 110.317 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.9 mtt . . . . . 0 C--O 1.245 0.851 0 CA-C-O 120.822 0.344 . . . . 0.0 110.766 177.786 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.243 0.732 0 CA-C-O 122.644 1.211 . . . . 0.0 108.272 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -160.63 -160.08 0.73 Allowed 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 9.8 p -102.78 -21.06 5.36 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.111 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.97 2.93 4.1 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 126.158 1.783 . . . . 0.0 114.087 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.2 mt 70.33 -31.83 0.23 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 169.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.47 -7.33 59.57 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 119.067 0.848 . . . . 0.0 111.883 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.9 t -68.45 161.98 26.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -100.54 118.07 35.97 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' A' 2052 ' ' ALA . 47.7 mm -89.01 119.3 69.8 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.923 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -66.75 126.51 15.48 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 121.839 1.692 . . . . 0.0 108.968 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.6 m -121.19 150.44 24.21 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.01 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.6 tt -130.12 136.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.583 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.47 115.91 17.61 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.79 -14.51 61.12 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 29.8 t -91.53 -56.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.67 -63.47 1.34 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.429 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 130.75 -15.59 5.42 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.226 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 90.7 m -50.4 119.54 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.88 0.472 . . . . 0.0 112.189 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.1 tp -104.51 126.58 51.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.01 127.84 54.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.5 m -132.52 165.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.261 0.351 . . . . 0.0 110.422 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.63 -137.49 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.72 1.41 55.19 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.364 0.602 . . . . 0.0 111.116 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 8.4 t0 -77.39 -33.0 55.23 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -83.64 142.73 42.99 Favored Pre-proline 0 N--CA 1.423 -1.778 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.514 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -69.28 164.6 33.44 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 123.308 2.672 . . . . 0.0 113.923 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -71.34 150.72 44.82 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.446 ' HD3' HG13 ' A' 2036 ' ' ILE . 13.7 tpt180 -62.36 -30.87 71.49 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-O 120.621 0.248 . . . . 0.0 111.125 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.05 96.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.657 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.81 -23.52 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.76 -42.85 26.59 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.964 1.705 . . . . 0.0 112.058 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' 2063 ' ' GLN . 10.3 tp10 -54.59 -53.93 48.04 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 123.687 0.617 . . . . 0.0 110.202 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 71.3 mtm -75.09 -32.65 61.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 44.3 t90 -62.14 -45.35 93.82 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.838 0.855 . . . . 0.0 110.359 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 61.3 mt -68.44 -32.78 73.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.662 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2059 ' ' GLU . 57.1 mt-30 -61.53 -34.01 74.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.779 0.323 . . . . 0.0 111.466 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.03 54.5 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.435 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -140.79 90.53 9.61 Favored Pre-proline 0 C--N 1.318 -0.764 0 C-N-CA 123.051 0.54 . . . . 0.0 110.617 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -68.7 -2.05 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.099 2.533 . . . . 0.0 112.321 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.0 -36.41 79.41 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.952 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.96 146.0 24.54 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.046 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -142.55 173.52 11.46 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 31.1 m -71.77 149.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 123.344 0.403 . . . . 0.0 109.993 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.6 122.46 76.49 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.089 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -62.48 -26.02 76.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.6 2.2 . . . . 0.0 112.959 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -74.46 -29.1 61.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.2 t80 -68.31 -32.79 73.18 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.96 -39.11 76.22 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.69 -30.55 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.485 0.659 . . . . 0.0 110.2 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -67.66 -33.89 75.83 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.93 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.2 mmt -74.01 -29.21 61.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.773 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.93 -41.21 87.4 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.5 -42.62 99.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.228 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -68.94 109.02 3.73 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.637 0.732 . . . . 0.0 110.044 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -129.66 168.4 16.54 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.049 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 19.5 pttp -120.29 -13.21 8.91 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -140.78 161.01 38.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.43 -1.439 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -147.16 -59.8 0.28 Allowed 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.264 0.554 . . . . 0.0 110.807 -173.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 2.4 p -131.37 119.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.847 0.832 . . . . 0.0 110.8 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -95.76 23.13 6.48 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.736 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 95.8 mt 72.87 -30.33 0.21 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.117 1.367 . . . . 0.0 113.375 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.96 -7.42 57.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.997 -0.44 . . . . 0.0 110.757 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.3 m -61.35 132.87 54.92 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.758 0.823 . . . . 0.0 108.874 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.406 ' HD3' ' N ' ' A' 2035 ' ' ARG . 1.1 mpp_? -84.72 107.33 16.85 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 40.2 mm -83.0 123.89 77.19 Favored Pre-proline 0 C--N 1.31 -1.138 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.83 137.89 51.12 Favored 'Trans proline' 0 C--O 1.244 0.777 0 C-N-CA 122.374 2.05 . . . . 0.0 111.964 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 27.7 m -130.72 162.12 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.382 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.7 tt -136.58 137.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.039 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -81.15 117.17 21.47 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.94 -29.65 65.74 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 122.931 0.492 . . . . 0.0 111.546 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.2 t -76.18 -54.33 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.727 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.15 -54.43 5.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.016 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.61 -6.84 9.04 Favored Glycine 0 C--N 1.312 -0.781 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.528 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 1.9 m -53.64 120.32 6.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.522 1.129 . . . . 0.0 111.327 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 53.9 tp -107.47 125.81 51.73 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.482 HD21 ' OD2' ' A' 2051 ' ' ASP . 38.3 mt -109.35 124.53 51.12 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 16.9 m -134.99 175.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 123.66 0.6 . . . . 0.0 110.066 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.511 -0.186 0 O-C-N 123.527 0.517 . . . . 0.0 112.7 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -99.23 -3.97 33.03 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.382 0.611 . . . . 0.0 110.67 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2051 ' ' ASP . . . . . 0.482 ' OD2' HD21 ' A' 2047 ' ' LEU . 23.9 t70 -84.4 -26.12 28.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -73.98 150.35 88.03 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.639 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.21 136.62 22.44 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.813 2.342 . . . . 0.0 114.162 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -55.83 130.42 43.47 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 125.322 1.449 . . . . 0.0 107.821 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -48.28 -45.64 34.99 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.39 70.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 111.27 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -83.27 -41.03 18.79 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -47.91 -49.25 30.57 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.901 2.08 . . . . 0.0 113.688 -174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.23 -34.81 78.87 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.816 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 69.7 mtm -74.8 -38.13 62.19 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.709 0.766 . . . . 0.0 109.041 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.7 t90 -62.78 -46.03 89.92 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 124.769 1.227 . . . . 0.0 111.713 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.77 -34.04 72.46 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.95 0.5 . . . . 0.0 111.856 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.9 -27.33 68.12 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.786 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.8 -1.29 58.72 Favored Glycine 0 C--N 1.307 -1.044 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.743 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.7 m80 -136.76 76.62 46.82 Favored Pre-proline 0 C--N 1.319 -0.718 0 O-C-N 122.704 -0.292 . . . . 0.0 110.787 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.17 -10.43 28.6 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.52 2.147 . . . . 0.0 112.132 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.33 -26.91 63.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.146 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -104.12 152.51 22.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -144.94 163.5 33.98 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 35.1 m -76.8 151.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-O 120.892 0.377 . . . . 0.0 111.21 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.528 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 12.1 t70 -61.97 125.15 84.51 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.978 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2072 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 16.9 Cg_exo -67.46 -18.34 49.24 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.049 2.499 . . . . 0.0 113.931 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.528 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 18.3 mtp180 -76.38 -38.53 55.59 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 86.0 t80 -64.03 -40.7 96.91 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.529 ' O ' ' HG3' ' A' 2079 ' ' GLU . 82.8 mt -59.16 -39.05 81.26 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.158 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.44 85.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.217 0.532 . . . . 0.0 110.746 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.08 -35.68 74.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 111.086 174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2078 ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.6 ttt -73.13 -29.82 63.16 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2079 ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' 2075 ' ' LEU . 36.6 mt-10 -75.83 -39.19 57.16 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.212 0.53 . . . . 0.0 110.149 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.49 -45.28 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.989 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2081 ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' 2078 ' ' MET . 67.9 ttt180 45.97 80.26 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.647 1.979 . . . . 0.0 114.812 172.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -160.08 120.06 2.91 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.297 0.57 . . . . 0.0 111.033 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 148.63 25.3 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -119.13 81.45 1.71 Allowed 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.843 0.83 . . . . 0.0 109.765 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 19.7 ptmt . . . . . 0 C--N 1.31 -1.124 0 CA-C-N 113.837 -1.529 . . . . 0.0 108.949 177.537 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -176.64 -53.1 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 124.944 1.298 . . . . 0.0 107.768 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' 2032 ' ' LEU . 27.6 m -67.66 -19.24 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.386 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.25 14.44 5.61 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.114 1.366 . . . . 0.0 111.285 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2032 ' ' LEU . . . . . 0.408 ' H ' HG22 ' A' 2030 ' ' VAL . 78.8 mt 69.69 0.71 3.1 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 125.914 1.686 . . . . 0.0 113.426 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -96.13 -16.71 21.37 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 38.1 m -64.22 137.26 57.85 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 120.741 0.305 . . . . 0.0 110.705 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -82.35 121.41 26.66 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.498 ' O ' ' HB1' ' A' 2052 ' ' ALA . 45.9 mm -93.63 119.75 66.85 Favored Pre-proline 0 C--N 1.297 -1.691 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2037 ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' 2047 ' ' LEU . 11.8 Cg_exo -59.42 118.36 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.498 2.132 . . . . 0.0 110.563 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.3 m -113.25 142.69 24.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2039 ' ' ILE . . . . . 0.454 ' CG1' ' HA3' ' A' 2044 ' ' GLY . 16.9 tt -116.13 143.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2040 ' ' ASN . . . . . 0.651 ' OD1' ' HB ' ' A' 2042 ' ' VAL . 1.6 t-20 -65.28 136.38 56.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.799 -0.62 . . . . 0.0 109.331 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2041 ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' 2067 ' ' GLU . 1.9 mptm? -64.0 -36.14 82.99 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 170.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2042 ' ' VAL . . . . . 0.651 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 21.9 t -68.72 -60.53 2.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.559 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.07 67.52 0.25 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2044 ' ' GLY . . . . . 0.454 ' HA3' ' CG1' ' A' 2039 ' ' ILE . . . 72.34 26.99 70.69 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 155.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2045 ' ' THR . . . . . 0.533 ' H ' ' HB2' ' A' 2040 ' ' ASN . 16.7 m -74.71 104.11 5.24 Favored 'General case' 0 N--CA 1.399 -3.016 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.8 tp -97.58 119.83 36.84 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.231 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' 2037 ' ' PRO . 64.4 mt -102.55 129.12 49.0 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2048 ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' 2051 ' ' ASP . 32.8 m -130.55 169.12 21.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 68.41 -134.42 28.62 Favored Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.28 -12.8 57.81 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.176 0.512 . . . . 0.0 110.862 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2051 ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' 2048 ' ' VAL . 13.8 m-20 -71.1 -32.58 69.23 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -85.11 147.5 47.93 Favored Pre-proline 0 N--CA 1.423 -1.794 0 CA-C-N 114.466 -1.243 . . . . 0.0 107.952 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.11 153.62 32.25 Favored 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.03 1.82 . . . . 0.0 113.55 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -68.58 138.28 54.97 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.495 ' HG2' ' CG1' ' A' 2036 ' ' ILE . 0.6 OUTLIER -50.53 -42.31 54.96 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 118.876 0.762 . . . . 0.0 112.357 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.8 67.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.341 0.4 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -91.28 -26.81 18.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.045 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -47.73 -43.44 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.994 1.718 . . . . 0.0 112.956 -175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.3 -54.67 33.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 43.1 tpp -65.99 -30.44 71.0 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.603 0.716 . . . . 0.0 110.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2061 ' ' TRP . . . . . 0.417 ' O ' ' HD3' ' A' 2066 ' ' PRO . 32.1 t90 -63.76 -46.15 86.6 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.191 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.93 -35.84 77.28 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -65.27 -28.75 69.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.935 0.494 . . . . 0.0 112.214 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -81.57 -2.73 90.63 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.922 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 74.4 m80 56.34 80.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 125.325 1.45 . . . . 0.0 113.446 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2066 ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' 2061 ' ' TRP . 62.0 Cg_endo -90.49 -0.93 5.29 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.755 2.304 . . . . 0.0 111.083 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.49 ' HA ' ' OE1' ' A' 2067 ' ' GLU . 5.6 mm-40 70.13 32.81 2.85 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 124.962 1.305 . . . . 0.0 112.977 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.36 148.77 51.31 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 113.125 -1.852 . . . . 0.0 107.094 173.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.02 169.69 17.36 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 75.4 t -67.47 136.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 25.0 t70 -58.02 124.83 71.81 Favored Pre-proline 0 C--O 1.24 0.597 0 C-N-CA 122.721 0.408 . . . . 0.0 110.263 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.9 -25.41 67.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.765 2.31 . . . . 0.0 112.879 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.45 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 16.0 ttp180 -72.78 -36.2 67.58 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.833 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -36.23 78.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -42.14 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.56 91.64 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.393 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.23 -40.26 85.33 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.374 1.07 . . . . 0.0 111.037 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 58.4 ttp -61.67 -39.49 91.6 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.069 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.55 -35.65 58.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.98 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.39 -35.48 72.07 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.23 1.412 . . . . 0.0 111.416 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.31 -7.37 53.78 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.891 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2082 ' ' ARG . . . . . 0.521 ' HA ' ' HE ' ' A' 2082 ' ' ARG . 2.9 tpm_? -86.9 86.94 7.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 95.1 mttt 72.62 118.72 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.46 1.104 . . . . 0.0 111.322 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -69.39 -44.87 70.61 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 N--CA 1.433 -1.319 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.045 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -79.48 -22.58 43.87 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.733 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.457 HG12 ' HB ' ' A' 2034 ' ' THR . 68.0 t 75.29 -58.02 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 125.057 1.343 . . . . 0.0 109.048 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 31.9 t70 49.96 32.11 5.34 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.236 1.414 . . . . 0.0 111.946 172.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2032 ' ' LEU . . . . . 0.465 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 82.5 mt 75.52 -22.02 0.28 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.396 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.457 ' HB ' HG12 ' A' 2030 ' ' VAL . 55.1 m -73.08 135.27 44.78 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.368 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -71.18 111.1 6.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.155 0.582 . . . . 0.0 109.817 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.409 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 45.3 mm -87.1 117.83 69.16 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.894 172.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -68.97 133.72 27.76 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.099 1.866 . . . . 0.0 111.157 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 14.9 m -124.79 146.32 30.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.39 135.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -72.57 123.26 22.82 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.77 -23.66 64.34 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 123.357 0.663 . . . . 0.0 112.711 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.5 t -89.98 -59.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.457 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.22 -46.76 14.34 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.71 11.22 25.3 Favored Glycine 0 C--N 1.303 -1.284 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.003 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.2 m -62.7 114.01 3.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 59.9 tp -106.62 125.37 50.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 46.2 mt -104.28 117.55 34.47 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 28.3 m -126.53 158.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.99 -137.89 28.94 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.93 -5.61 54.16 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.088 0.47 . . . . 0.0 111.716 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.78 -23.43 42.17 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.96 0.886 . . . . 0.0 108.764 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.14 146.78 38.99 Favored Pre-proline 0 N--CA 1.428 -1.552 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 152.71 67.97 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.697 1.598 . . . . 0.0 111.834 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -69.94 147.61 49.98 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.625 ' O ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -58.36 -28.64 65.32 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -172.685 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.18 81.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.647 0.26 . . . . 0.0 111.152 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.66 -16.29 20.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2058 ' ' LEU . . . . . 0.45 ' CB ' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -55.35 -43.56 75.14 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.516 1.126 . . . . 0.0 111.72 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' 2063 ' ' GLN . 35.3 mm-40 -55.19 -56.36 20.8 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.397 0.618 . . . . 0.0 109.804 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2060 ' ' MET . . . . . 0.406 ' HA ' ' HE2' ' A' 2060 ' ' MET . 0.5 OUTLIER -57.77 -45.28 86.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.702 178.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 74.0 t90 -58.15 -51.93 67.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.275 1.03 . . . . 0.0 110.352 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.27 -32.08 69.69 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' 2059 ' ' GLU . 25.2 mm-40 -63.79 -31.39 72.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.41 -15.07 39.15 Favored Glycine 0 C--N 1.313 -0.707 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.44 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -128.38 75.22 79.39 Favored Pre-proline 0 C--N 1.311 -1.069 0 O-C-N 122.063 -0.669 . . . . 0.0 109.481 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.83 -0.0 10.08 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.726 2.284 . . . . 0.0 112.825 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.5 -5.82 59.25 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.757 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -106.74 151.9 24.53 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -133.75 155.19 50.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 4.7 p -67.8 133.78 31.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.81 119.44 33.72 Favored Pre-proline 0 C--O 1.243 0.758 0 O-C-N 123.865 0.728 . . . . 0.0 111.289 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.12 -16.98 36.19 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.183 2.588 . . . . 0.0 113.256 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -83.81 -34.27 24.74 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.16 -52.84 52.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.573 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' 2078 ' ' MET . 4.1 pp -66.85 -24.67 66.17 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.31 -23.12 67.19 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.53 -40.72 83.74 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 122.393 0.277 . . . . 0.0 111.071 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2078 ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' 2075 ' ' LEU . 27.1 ptm -74.71 -29.99 61.39 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.084 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -77.7 -39.66 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.697 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.26 -29.59 42.67 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.092 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 56.07 178.81 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.365 2.266 . . . . 0.0 113.576 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.7 142.17 27.9 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -101.3 158.53 15.97 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.68 77.67 6.28 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.335 1.064 . . . . 0.0 109.389 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 C--N 1.28 -2.437 0 CA-C-N 113.802 -1.544 . . . . 0.0 107.292 178.465 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 121.442 0.639 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.28 123.21 24.92 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.504 ' HA ' ' HB ' ' A' 2034 ' ' THR . 42.5 t -79.89 -64.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.695 -172.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 37.0 t70 44.81 48.82 9.06 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.955 0.902 . . . . 0.0 111.904 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2032 ' ' LEU . . . . . 0.419 ' HB3' ' HB3' ' A' 2056 ' ' ALA . 96.0 mt 72.3 -39.13 0.44 Allowed 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 172.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.28 -17.16 40.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.124 0.875 . . . . 0.0 112.436 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.504 ' HB ' ' HA ' ' A' 2030 ' ' VAL . 57.7 m -71.73 146.03 48.41 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -92.44 122.8 35.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.9 119.08 73.69 Favored Pre-proline 0 C--N 1.301 -1.519 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -67.48 121.79 8.93 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 122.005 1.803 . . . . 0.0 110.823 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -123.03 152.03 27.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.035 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2039 ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' 2045 ' ' THR . 15.1 tt -133.23 137.3 53.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.416 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2040 ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' 2067 ' ' GLU . 39.3 t-20 -69.6 110.48 4.85 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -64.17 -21.57 66.61 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 69.4 t -89.85 -51.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 CA-C-O 121.05 0.452 . . . . 0.0 110.107 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.43 -40.59 23.14 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 100.21 19.33 19.18 Favored Glycine 0 N--CA 1.433 -1.517 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.813 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2045 ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' 2039 ' ' ILE . 17.8 m -76.21 100.36 5.02 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.4 tp -93.03 124.88 37.32 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 86.9 mt -109.53 116.91 32.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 27.4 m -131.29 162.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.55 -126.12 32.25 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 123.768 0.668 . . . . 0.0 112.658 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.84 -4.24 58.87 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.485 0.66 . . . . 0.0 111.786 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.43 -10.23 54.67 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.521 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -107.13 145.85 32.0 Favored Pre-proline 0 N--CA 1.427 -1.598 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.41 167.7 20.86 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.089 1.86 . . . . 0.0 111.06 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -70.45 156.81 38.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -55.62 -37.02 67.63 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.052 176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' 2032 ' ' LEU . . . -64.25 -19.96 65.73 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.404 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -106.52 -32.08 8.23 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.603 0.716 . . . . 0.0 109.593 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.39 -46.29 76.56 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.676 1.59 . . . . 0.0 114.355 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.08 -48.45 78.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.37 0.605 . . . . 0.0 111.156 -173.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.78 -32.59 69.75 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.418 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 91.5 t90 -64.89 -45.38 86.19 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.36 1.064 . . . . 0.0 110.551 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.69 -33.25 64.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.881 0.872 . . . . 0.0 112.581 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.98 -31.94 73.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 120.891 0.376 . . . . 0.0 110.971 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.16 -2.85 55.83 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.362 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 75.8 m80 -133.37 77.27 66.33 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.56 -14.5 27.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.054 2.502 . . . . 0.0 115.267 -172.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' 2040 ' ' ASN . 64.3 mm-40 -91.4 2.52 56.35 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.638 -0.825 . . . . 0.0 112.528 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -99.98 124.99 45.94 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.229 0.538 . . . . 0.0 110.7 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -122.29 160.52 25.12 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 9.2 p -68.2 140.03 19.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 123.481 0.488 . . . . 0.0 111.606 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.432 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.5 t70 -63.53 133.78 95.63 Favored Pre-proline 0 C--O 1.246 0.914 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.8 178.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.79 -23.1 42.15 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.211 2.607 . . . . 0.0 113.912 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.432 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 10.3 ttm180 -75.86 -37.58 58.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 79.5 t80 -64.13 -35.67 81.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.875 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.24 -33.34 75.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.447 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.2 -40.07 86.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -63.73 -32.36 73.82 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.975 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.3 tpp -63.07 -42.9 99.78 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.16 -37.62 81.21 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.121 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.97 -36.71 75.29 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.945 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -74.35 -31.71 62.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.774 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -51.38 -30.64 19.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.343 1.057 . . . . 0.0 112.221 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -127.1 116.1 20.16 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -78.32 -57.27 3.87 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.259 175.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 120.291 0.091 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.6 t70 69.13 -58.76 0.49 Allowed 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 125.628 1.571 . . . . 0.0 111.129 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 20.8 m -65.38 162.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 123.928 0.891 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -111.62 27.58 9.54 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.367 0.603 . . . . 0.0 109.881 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.5 mt 72.52 -34.43 0.3 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.699 1.6 . . . . 0.0 113.375 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -15.9 59.85 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.903 0.858 . . . . 0.0 110.121 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.1 m -65.6 116.44 6.85 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 113.836 -1.529 . . . . 0.0 111.301 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.542 ' H ' ' HD2' ' A' 2035 ' ' ARG . 0.0 OUTLIER -62.71 105.54 0.67 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.811 175.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.5 mm -76.61 120.41 81.54 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.036 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.34 133.34 32.27 Favored 'Trans proline' 0 C--O 1.25 1.108 0 C-N-CA 122.112 1.875 . . . . 0.0 111.066 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 24.5 m -125.44 154.55 34.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.053 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 13.1 tt -130.68 131.82 64.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 120.928 0.394 . . . . 0.0 110.07 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -78.35 117.3 19.45 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.08 -25.46 66.24 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -84.41 -59.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.251 0.548 . . . . 0.0 109.87 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.85 -35.45 62.36 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.671 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 96.28 -1.52 62.6 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 21.1 m -64.4 109.02 1.79 Allowed 'General case' 0 N--CA 1.428 -1.525 0 C-N-CA 123.746 0.819 . . . . 0.0 111.436 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.7 tp -95.99 127.22 41.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 89.6 mt -110.18 115.77 30.32 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.3 m -124.82 163.28 25.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2049 ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 71.56 -151.91 48.67 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -85.21 17.26 3.11 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.41 -17.39 27.29 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -93.01 152.28 41.27 Favored Pre-proline 0 N--CA 1.438 -1.048 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.552 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.0 154.95 47.96 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.46 2.107 . . . . 0.0 113.003 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -71.84 151.2 43.62 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -57.31 -33.96 68.22 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 122.505 0.322 . . . . 0.0 111.257 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.96 76.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.766 0.317 . . . . 0.0 111.789 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.23 -4.49 25.65 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.43 -52.02 64.98 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.456 1.102 . . . . 0.0 112.017 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.78 -36.44 74.42 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 25.2 ttt -74.22 -41.23 61.69 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.445 0.641 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 65.2 t90 -68.46 -49.49 59.42 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.971 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.33 -32.25 72.13 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.24 -37.14 71.83 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.99 9.11 57.96 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.952 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.5 m80 -143.95 63.93 12.3 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 123.237 0.615 . . . . 0.0 110.113 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.47 -4.55 15.16 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.098 1.865 . . . . 0.0 113.46 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -86.37 -13.96 44.87 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -97.76 140.35 32.27 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.598 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.17 173.24 11.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.4 p -70.28 137.0 24.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.448 0.467 . . . . 0.0 111.207 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.7 t70 -56.7 123.73 59.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.06 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.14 -30.11 90.63 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 123.198 2.599 . . . . 0.0 112.31 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.465 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 45.4 ttt180 -68.06 -41.04 82.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.04 -36.26 82.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.2 -40.48 94.12 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.758 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.04 70.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.557 0.343 . . . . 0.0 111.156 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.07 -46.64 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.32 0.581 . . . . 0.0 109.643 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2078 ' ' MET . . . . . 0.471 ' O ' ' HD3' ' A' 2081 ' ' ARG . 23.7 mmt -65.01 -38.95 92.63 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.502 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2079 ' ' GLU . . . . . 0.594 ' HA ' ' NH1' ' A' 2081 ' ' ARG . 16.0 mm-40 -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.671 0.788 . . . . 0.0 111.38 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 24.2 t0 -64.78 -28.08 69.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2081 ' ' ARG . . . . . 0.594 ' NH1' ' HA ' ' A' 2079 ' ' GLU . 51.4 mmt-85 65.59 -163.56 0.25 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.064 1.346 . . . . 0.0 111.363 173.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.92 117.73 16.05 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 172.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 75.0 tttt -115.1 141.97 47.28 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.287 -171.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.75 62.9 7.17 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 122.364 1.078 . . . . 0.0 109.388 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 C--N 1.3 -1.587 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 177.037 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 18.3 t70 165.65 -40.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 103.275 -2.861 . . . . 0.0 103.275 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 42.6 t -86.84 113.03 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.788 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.43 167.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.72 18.8 3.79 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 84.3 mt 73.01 -23.33 0.21 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.987 1.315 . . . . 0.0 113.951 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.86 -16.5 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 13.9 t -68.37 156.87 36.93 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.233 0.539 . . . . 0.0 109.679 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -103.62 106.67 17.25 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.27 115.39 40.53 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.57 133.48 27.98 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 121.952 1.768 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -127.97 152.43 36.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.046 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.23 136.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -73.31 118.13 15.89 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -67.92 -19.77 65.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 61.5 t -88.72 -59.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.228 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.17 -44.73 29.14 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.368 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.34 5.18 37.48 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.299 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 80.7 m -58.39 115.19 2.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 67.3 tp -106.65 126.41 52.24 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.421 HD21 ' OD2' ' A' 2051 ' ' ASP . 54.6 mt -107.76 115.62 30.48 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 20.4 m -131.9 168.19 24.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 73.32 -134.09 19.04 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.77 -11.82 52.55 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.419 0.628 . . . . 0.0 111.021 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2051 ' ' ASP . . . . . 0.421 ' OD2' HD21 ' A' 2047 ' ' LEU . 2.8 t70 -77.21 -25.91 52.21 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.294 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -74.03 140.75 77.36 Favored Pre-proline 0 N--CA 1.427 -1.605 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.445 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.94 144.86 89.14 Favored 'Trans proline' 0 C--O 1.24 0.608 0 C-N-CA 122.792 2.328 . . . . 0.0 113.311 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.453 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 9.8 ttm180 -64.03 138.96 58.71 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -52.87 -38.33 61.45 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.68 -26.05 68.46 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2057 ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 12.9 pt-20 -111.41 -6.9 14.41 Favored 'General case' 0 C--O 1.208 -1.098 0 O-C-N 122.3 -0.25 . . . . 0.0 110.809 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.1 -47.38 61.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.108 1.363 . . . . 0.0 110.878 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.84 -44.27 90.93 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.395 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2060 ' ' MET . . . . . 0.494 ' O ' ' HB3' ' A' 2063 ' ' GLN . 65.0 mtt -75.42 -30.73 60.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.495 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.8 t90 -69.7 -45.47 68.17 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.136 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.15 -32.25 71.97 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.073 0.549 . . . . 0.0 111.169 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.494 ' HB3' ' O ' ' A' 2060 ' ' MET . 34.1 tt0 -55.18 -32.88 62.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.496 0.718 . . . . 0.0 110.257 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -104.46 -3.9 43.7 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.06 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.0 m80 -140.62 78.83 20.69 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.29 7.81 4.75 Favored 'Trans proline' 0 C--O 1.219 -0.471 0 C-N-CA 122.991 2.461 . . . . 0.0 113.229 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -101.03 4.73 42.61 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.46 0.648 . . . . 0.0 110.093 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -114.46 149.91 35.59 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.481 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -139.78 168.01 20.8 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.0 p -64.44 138.81 22.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 O-C-N 123.463 0.477 . . . . 0.0 110.844 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 21.1 t0 -62.16 120.89 62.17 Favored Pre-proline 0 C--O 1.244 0.767 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.124 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.55 -22.7 67.88 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.554 2.836 . . . . 0.0 112.427 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.46 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 31.1 mtp-105 -72.08 -33.57 68.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 0.0 109.809 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 86.5 t80 -71.59 -33.06 68.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' 2079 ' ' GLU . 80.3 mt -69.05 -33.42 73.57 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.14 70.57 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.931 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 49.7 t80 -66.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 110.004 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 52.7 tpp -68.63 -37.02 79.4 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2079 ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' 2075 ' ' LEU . 10.2 mm-40 -66.66 -31.4 72.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.798 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.17 -47.53 82.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.639 176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.36 -78.79 0.09 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.301 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 51.07 -160.99 0.08 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.434 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -127.4 67.76 1.3 Allowed 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.0 170.7 8.44 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.685 -176.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--N 1.29 -2.021 0 CA-C-O 121.322 0.582 . . . . 0.0 111.16 -177.833 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.533 0.206 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2029 ' ' ASP . . . . . 0.425 ' OD1' HG21 ' A' 2030 ' ' VAL . 11.6 t70 66.06 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.868 1.267 . . . . 0.0 110.175 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.425 HG21 ' OD1' ' A' 2029 ' ' ASP . 18.9 m -148.43 -171.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 108.826 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.28 15.7 0.91 Allowed 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 96.8 mt 69.1 -44.04 0.53 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.967 1.307 . . . . 0.0 113.529 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' 2054 ' ' ARG . 32.3 mt-10 -91.84 7.08 43.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.419 -0.8 . . . . 0.0 111.726 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 22.5 m -66.61 129.8 41.07 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' A' 2052 ' ' ALA . 53.3 mtt180 -84.04 102.68 12.68 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 120.743 0.306 . . . . 0.0 110.283 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.442 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.1 mm -73.89 128.4 86.7 Favored Pre-proline 0 C--N 1.311 -1.083 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -66.06 128.72 20.2 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 121.937 1.758 . . . . 0.0 110.701 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.6 m -123.82 143.09 38.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.712 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2039 ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' 2068 ' ' PHE . 10.8 tt -121.51 136.84 57.12 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -78.24 114.68 17.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 173.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 33.5 t -85.32 -51.37 13.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.9 -59.71 2.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.699 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 124.22 -12.33 8.05 Favored Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.073 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 93.6 m -62.96 122.34 15.79 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 117.184 0.492 . . . . 0.0 111.689 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.4 tp -96.42 126.88 41.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' 2052 ' ' ALA . 48.5 mt -98.29 110.83 23.34 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.021 0.439 . . . . 0.0 109.981 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 17.4 m -129.26 175.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 71.88 -123.52 9.8 Favored Glycine 0 C--N 1.3 -1.435 0 C-N-CA 120.093 -1.051 . . . . 0.0 111.178 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -98.49 -1.44 41.26 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.615 0.721 . . . . 0.0 110.228 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.65 -28.09 36.97 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.213 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.492 ' O ' ' HD3' ' A' 2035 ' ' ARG . . . -82.46 134.76 47.62 Favored Pre-proline 0 C--N 1.299 -1.595 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.502 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -81.02 162.1 20.66 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 122.481 2.121 . . . . 0.0 112.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 38.0 ptt180 -74.88 146.41 41.91 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.442 ' HD3' HG13 ' A' 2036 ' ' ILE . 16.1 tpt180 -49.72 -37.41 29.17 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 124.428 1.091 . . . . 0.0 112.148 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 122.984 0.513 . . . . 0.0 112.041 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.83 -21.37 18.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.13 -46.09 33.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.075 1.75 . . . . 0.0 112.906 -174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' 2063 ' ' GLN . 11.5 mm-40 -54.5 -57.5 11.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.222 0.534 . . . . 0.0 111.509 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 67.2 mtt -67.93 -35.87 79.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.395 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.5 t90 -64.92 -41.92 95.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.909 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.22 -32.65 74.31 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' 2059 ' ' GLU . 51.5 mt-30 -64.32 -37.46 87.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.223 0.535 . . . . 0.0 109.894 176.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.82 -14.57 82.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 115.674 -0.693 . . . . 0.0 113.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -139.06 86.24 15.11 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 122.821 0.448 . . . . 0.0 110.831 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -69.82 -8.94 24.86 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.379 2.052 . . . . 0.0 111.434 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.01 -41.79 97.36 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.346 1.058 . . . . 0.0 108.986 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2068 ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' 2039 ' ' ILE . 77.1 m-85 -95.68 142.87 27.48 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.568 -175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.21 168.63 19.35 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -63.87 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 O-C-N 123.551 0.532 . . . . 0.0 109.757 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.568 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.4 t70 -58.4 120.3 43.2 Favored Pre-proline 0 C--O 1.247 0.932 0 O-C-N 123.711 0.632 . . . . 0.0 112.396 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.06 -21.94 67.95 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.161 2.574 . . . . 0.0 112.624 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.568 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 55.3 ttt180 -70.57 -51.41 28.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.7 t80 -52.92 -43.86 66.56 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 123.671 0.788 . . . . 0.0 110.878 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.71 -50.44 73.88 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.929 0.395 . . . . 0.0 111.364 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.89 76.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.936 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -69.92 -44.46 69.6 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.515 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 55.6 ttp -58.71 -39.9 82.15 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.214 0.605 . . . . 0.0 111.571 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.28 -33.1 55.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.93 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.18 -35.31 73.88 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -55.06 -54.84 37.89 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.664 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -94.75 77.82 3.7 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.167 0.984 . . . . 0.0 110.761 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -165.6 138.74 4.37 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -72.63 -60.7 2.1 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.928 0.394 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.441 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2029 ' ' ASP . . . . . 0.437 ' OD1' HG21 ' A' 2030 ' ' VAL . 6.2 t70 66.21 -163.99 0.24 Allowed 'General case' 0 C--O 1.244 0.799 0 CA-C-N 113.071 -1.877 . . . . 0.0 109.308 177.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.504 ' HB ' ' OG1' ' A' 2034 ' ' THR . 34.3 m -96.67 -179.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 CA-C-O 120.947 0.403 . . . . 0.0 111.104 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.39 25.65 4.29 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.108 0.48 . . . . 0.0 111.426 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 91.7 mt 69.89 -39.77 0.44 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.506 1.523 . . . . 0.0 114.534 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.31 -9.88 59.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.588 0.708 . . . . 0.0 110.377 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.504 ' OG1' ' HB ' ' A' 2030 ' ' VAL . 0.2 OUTLIER -66.77 147.84 52.72 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.66 177.5 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' 2049 ' ' GLY . 0.0 OUTLIER -103.24 124.09 47.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.471 178.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.406 HG13 ' HD3' ' A' 2055 ' ' ARG . 51.4 mm -87.87 128.5 53.92 Favored Pre-proline 0 C--N 1.296 -1.757 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.09 124.61 12.85 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 122.058 1.838 . . . . 0.0 110.409 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 26.6 m -118.69 150.55 20.93 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.3 tt -132.68 136.13 56.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-O 121.132 0.492 . . . . 0.0 110.893 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -79.23 120.26 23.47 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.68 -30.14 64.0 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.97 0.414 . . . . 0.0 111.913 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 43.9 t -78.0 -54.01 13.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.9 -34.42 22.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 92.56 12.43 58.28 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 8.6 m -70.95 113.52 8.08 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 114.967 -0.617 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.8 tp -100.6 123.25 44.56 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.22 114.59 28.87 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 30.3 m -126.93 168.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.841 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2049 ' ' GLY . . . . . 0.535 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 73.64 -147.99 39.49 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.65 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.75 8.37 20.11 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.053 0.454 . . . . 0.0 111.696 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.14 -12.5 26.32 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.952 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.88 150.39 45.49 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.856 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.07 143.06 58.35 Favored 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.359 2.039 . . . . 0.0 112.696 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' 2057 ' ' GLU . 79.0 ttt180 -69.8 140.1 53.28 Favored 'General case' 0 N--CA 1.427 -1.598 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.406 ' HD3' HG13 ' A' 2036 ' ' ILE . 12.5 tpt180 -54.77 -32.52 60.12 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.56 0.618 . . . . 0.0 112.506 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.9 -28.97 69.3 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2057 ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' 2054 ' ' ARG . 15.1 pt-20 -104.92 -7.38 19.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.904 -0.497 . . . . 0.0 110.173 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.41 -45.57 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 113.393 -170.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.32 -52.59 57.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.49 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2060 ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' 2060 ' ' MET . 13.3 mmt -63.68 -33.17 75.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.944 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.58 -50.93 65.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.682 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.47 -32.99 71.94 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.26 -31.13 71.66 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.901 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -94.2 -11.14 57.75 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -128.51 79.78 73.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -69.88 -21.1 33.41 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 113.069 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.25 -17.51 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.662 0.744 . . . . 0.0 109.448 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -99.79 153.09 19.4 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.117 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -148.25 171.85 15.3 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 3.2 p -75.6 141.99 15.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' 2073 ' ' ARG . 12.2 t70 -51.29 118.1 10.21 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 110.559 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -65.26 -26.61 56.44 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.885 2.39 . . . . 0.0 112.631 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.572 ' HB3' ' OD1' ' A' 2071 ' ' ASP . 10.6 ttp180 -72.12 -39.7 68.66 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.983 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 69.9 t80 -66.24 -32.17 73.43 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.2 -38.71 88.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.389 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -68.92 -35.64 77.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.722 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 56.2 t80 -55.93 -35.49 66.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.08 0.952 . . . . 0.0 110.385 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.69 -42.09 99.45 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.729 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.59 -40.58 56.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.905 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -68.18 -38.13 81.7 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.883 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 71.35 -62.86 0.44 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.19 1.396 . . . . 0.0 109.887 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -115.71 84.77 2.16 Favored 'General case' 0 N--CA 1.426 -1.625 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 56.8 tttp -95.65 -20.64 18.77 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.905 -173.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.17 131.58 35.31 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 56.8 mtpt . . . . . 0 C--O 1.238 0.491 0 O-C-N 124.637 1.211 . . . . 0.0 112.489 179.585 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 C--O 1.24 0.555 0 CA-C-O 121.712 0.768 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -118.47 154.14 32.98 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.071 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 29.7 m -100.57 10.07 7.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 122.85 0.46 . . . . 0.0 112.209 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 71.12 11.32 6.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.26 1.024 . . . . 0.0 112.201 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 82.0 mt 68.27 -10.46 0.44 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.209 1.404 . . . . 0.0 114.119 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.33 12.54 5.27 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -172.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.2 t -117.63 173.74 6.56 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -111.13 119.4 38.87 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.419 HG12 ' HB2' ' A' 2055 ' ' ARG . 50.4 mm -94.46 125.58 51.34 Favored Pre-proline 0 C--N 1.306 -1.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.856 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.28 135.62 43.88 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.926 1.751 . . . . 0.0 110.883 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 18.4 m -125.89 157.52 35.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.871 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -131.78 137.11 55.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -80.29 118.2 21.74 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -74.13 -21.78 59.73 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 47.4 t -87.25 -50.9 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -83.92 -58.06 2.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 0.0 111.479 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.55 -6.2 9.16 Favored Glycine 0 C--N 1.306 -1.085 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.829 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -53.25 119.0 4.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.375 0.67 . . . . 0.0 110.659 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.06 122.76 45.95 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 86.7 mt -104.88 118.22 35.99 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.0 m -129.71 157.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.95 -119.39 6.81 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.43 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -89.67 -9.65 48.76 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 121.462 0.648 . . . . 0.0 110.797 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.08 -18.2 43.91 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.272 176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -95.98 131.2 29.48 Favored Pre-proline 0 N--CA 1.416 -2.131 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.257 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.61 161.23 46.09 Favored 'Trans proline' 0 C--O 1.251 1.158 0 C-N-CA 122.472 2.115 . . . . 0.0 113.856 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' 2057 ' ' GLU . 23.2 tpp180 -65.37 137.77 57.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.169 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.433 HH12 ' HB2' ' A' 2059 ' ' GLU . 40.4 tpt85 -58.02 -32.56 68.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.352 0.523 . . . . 0.0 111.531 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.6 -29.06 70.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 111.841 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2057 ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.3 pt-20 -103.87 -12.2 17.04 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.356 0.598 . . . . 0.0 110.775 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.58 -41.89 95.97 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -167.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.433 ' HB2' HH12 ' A' 2055 ' ' ARG . 39.7 tt0 -64.22 -51.38 63.96 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.085 0.469 . . . . 0.0 111.121 -171.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 1.7 mpt? -64.92 -27.94 69.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.144 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 73.7 t90 -70.24 -48.59 56.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.019 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.2 -35.71 81.69 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.161 0.505 . . . . 0.0 111.209 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -64.15 -32.08 73.51 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 123.756 0.822 . . . . 0.0 110.703 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.46 3.84 61.63 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.514 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 66.7 m80 -144.68 84.09 9.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.42 -9.66 26.8 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.758 2.306 . . . . 0.0 112.902 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.85 -29.91 66.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -102.76 140.22 37.31 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.66 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -138.98 164.79 28.81 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.5 p -64.18 140.55 19.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 O-C-N 123.548 0.53 . . . . 0.0 110.315 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.51 118.33 21.72 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 123.05 0.54 . . . . 0.0 111.847 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.58 -20.53 40.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.979 2.453 . . . . 0.0 112.069 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -70.58 -42.31 71.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 91.4 t80 -65.66 -43.41 89.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.172 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.83 -45.66 89.49 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.891 0.377 . . . . 0.0 110.706 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.24 95.98 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.273 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -61.66 -37.13 82.93 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.438 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.06 -45.73 90.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.859 0.362 . . . . 0.0 110.295 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.51 -52.2 28.64 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.915 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.26 -50.26 34.62 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 124.15 0.98 . . . . 0.0 113.25 -174.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 63.25 88.67 0.09 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.357 1.063 . . . . 0.0 113.476 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.69 86.68 5.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -126.49 94.83 4.17 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 65.19 92.43 0.07 Allowed 'General case' 0 C--O 1.245 0.819 0 C-N-CA 124.821 1.248 . . . . 0.0 112.938 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 173.614 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 N--CA 1.429 -1.514 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.73 145.01 56.57 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' A' 2034 ' ' THR . 46.2 t -58.66 -54.4 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 O-C-N 123.635 0.584 . . . . 0.0 111.281 -174.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 20.8 t70 43.24 37.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.267 1.427 . . . . 0.0 112.353 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 64.8 mt 71.56 -27.7 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.61 -17.24 27.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.499 ' CB ' ' HA ' ' A' 2030 ' ' VAL . 18.6 m -69.08 140.64 54.84 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.832 176.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' 2035 ' ' ARG . 0.8 OUTLIER -86.05 110.1 19.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.479 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.456 HG13 ' HD3' ' A' 2055 ' ' ARG . 48.7 mm -78.39 122.69 85.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.36 131.92 31.79 Favored 'Trans proline' 0 C--O 1.25 1.092 0 C-N-CA 122.541 2.161 . . . . 0.0 111.426 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.7 m -128.35 152.35 36.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.484 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2039 ' ' ILE . . . . . 0.42 HG12 ' N ' ' A' 2040 ' ' ASN . 11.7 tt -132.26 156.86 42.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2040 ' ' ASN . . . . . 0.448 ' OD1' ' HB ' ' A' 2045 ' ' THR . 1.1 m120 -51.45 142.57 13.48 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.537 0.735 . . . . 0.0 112.507 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2041 ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' 2066 ' ' PRO . 7.5 mmmm -71.23 -17.11 62.51 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.78 170.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 32.1 t -86.06 -20.92 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 75.78 90.46 0.08 Allowed 'General case' 0 CA--C 1.466 -2.258 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.628 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -171.9 -69.32 0.04 OUTLIER Glycine 0 N--CA 1.404 -3.469 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.404 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2045 ' ' THR . . . . . 0.448 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 84.3 m -73.24 107.09 5.37 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.987 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 61.6 tp -105.18 130.35 53.36 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.39 109.59 18.56 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 27.7 m -119.45 164.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.0 -132.45 19.35 Favored Glycine 0 N--CA 1.421 -2.308 0 C-N-CA 120.498 -0.858 . . . . 0.0 110.962 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.42 5.34 51.92 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.374 0.607 . . . . 0.0 110.846 -174.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -81.67 -28.49 33.53 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -84.18 152.29 61.39 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.555 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.65 159.76 12.36 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.669 2.246 . . . . 0.0 113.58 -176.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' 2057 ' ' GLU . 67.5 mtm180 -64.35 141.21 58.85 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.456 ' HD3' HG13 ' A' 2036 ' ' ILE . 46.2 tpt85 -49.23 -36.23 19.53 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.213 1.005 . . . . 0.0 113.364 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.83 78.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2057 ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' 2054 ' ' ARG . 16.1 pt-20 -86.38 -23.58 26.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 109.935 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.23 -42.52 40.81 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.451 1.901 . . . . 0.0 112.442 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.83 -46.44 85.03 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.001 0.905 . . . . 0.0 109.767 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.84 -36.15 75.34 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.737 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.0 t90 -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.255 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.17 -32.99 74.77 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.55 0.34 . . . . 0.0 111.377 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.26 -46.43 90.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.78 -20.22 79.58 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.102 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 69.2 m80 -136.18 81.22 38.76 Favored Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 117.226 0.513 . . . . 0.0 110.361 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2066 ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' A' 2041 ' ' LYS . 57.3 Cg_endo -74.88 3.37 5.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.93 2.42 . . . . 0.0 113.189 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' 2040 ' ' ASN . 12.3 pt-20 -89.64 8.66 30.33 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.145 0.498 . . . . 0.0 110.43 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.03 152.98 47.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.468 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -150.1 168.44 23.91 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.97 142.38 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.657 0.598 . . . . 0.0 111.727 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 10.7 t70 -64.08 128.83 93.52 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.608 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.34 -30.16 87.12 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.237 2.625 . . . . 0.0 113.574 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.451 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 70.4 ttt180 -68.9 -43.94 74.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 92.1 t80 -55.89 -48.24 75.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.131 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.01 -24.91 60.81 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.04 -32.17 73.63 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.004 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -69.3 -32.2 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.742 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 64.4 mtt -73.54 -32.22 64.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.109 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2079 ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' 2082 ' ' ARG . 15.5 tp10 -70.04 -36.97 75.42 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.774 0.797 . . . . 0.0 108.926 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.99 -27.31 64.6 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.54 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -90.55 9.87 27.72 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.682 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2082 ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' 2079 ' ' GLU . 5.3 ptp180 -124.36 162.76 23.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2083 ' ' LYS . . . . . 0.449 ' HG2' ' H ' ' A' 2084 ' ' GLN . 23.1 ttmm 63.79 -179.43 0.16 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.425 0.69 . . . . 0.0 109.532 178.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2084 ' ' GLN . . . . . 0.449 ' H ' ' HG2' ' A' 2083 ' ' LYS . 23.9 mp0 -92.45 103.28 15.72 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--N 1.302 -1.462 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.756 -178.333 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.237 0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 3.9 t0 68.15 114.63 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.037 1.735 . . . . 0.0 110.21 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' 2034 ' ' THR . 34.7 m -125.72 1.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -174.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 13.6 t70 60.9 22.24 12.39 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.388 1.089 . . . . 0.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 86.4 mt 68.87 -24.55 0.14 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.44 -16.17 49.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.024 -1.07 . . . . 0.0 113.503 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.515 ' HB ' ' HB ' ' A' 2030 ' ' VAL . 31.8 m -66.05 136.47 56.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' 2035 ' ' ARG . 5.9 mpt_? -87.61 123.27 32.3 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.24 125.04 80.23 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.015 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.92 116.12 3.25 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.312 2.008 . . . . 0.0 111.566 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -112.69 142.04 26.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.449 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 13.5 tt -126.33 137.69 56.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-O 121.303 0.573 . . . . 0.0 111.518 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -71.31 113.5 8.4 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.13 -15.55 61.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 50.1 t -85.53 -56.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.52 -59.43 2.32 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.745 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 127.8 -2.07 6.9 Favored Glycine 0 C--N 1.305 -1.192 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.585 -173.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 51.3 m -57.63 110.58 0.91 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.099 0.56 . . . . 0.0 111.121 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 58.2 tp -99.68 128.82 45.77 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.4 128.91 48.79 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 21.0 m -137.63 161.65 33.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.15 -125.74 27.58 Favored Glycine 0 N--CA 1.438 -1.206 0 O-C-N 123.673 0.608 . . . . 0.0 111.94 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.15 -2.85 58.92 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.732 0.777 . . . . 0.0 110.759 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.56 -11.2 37.97 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.938 0.875 . . . . 0.0 108.936 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -101.74 152.02 38.03 Favored Pre-proline 0 N--CA 1.427 -1.578 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -81.65 142.45 12.88 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 121.95 1.766 . . . . 0.0 112.125 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.99 141.75 53.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 16.6 tpt85 -51.44 -33.66 31.73 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.23 94.97 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.177 0.591 . . . . 0.0 112.249 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -96.55 -21.28 17.77 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.78 -34.48 62.71 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.125 1.77 . . . . 0.0 112.41 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' 2063 ' ' GLN . 9.3 tp10 -59.66 -49.45 77.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.307 0.38 . . . . 0.0 109.976 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.38 -45.97 72.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.857 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -67.03 -44.3 80.61 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.271 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . 0.276 35.1 mt -67.58 -30.38 69.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 176.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' 2059 ' ' GLU . 29.6 mm-40 -54.83 -39.19 68.29 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -79.92 -33.34 33.66 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.522 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . 0.269 39.3 p-80 37.67 85.09 0.17 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 125.402 1.481 . . . . 0.0 114.45 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.39 -61.57 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.117 1.878 . . . . 0.0 112.255 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.96 24.56 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 122.442 1.115 . . . . 0.0 108.415 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.73 150.99 39.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.919 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.97 171.61 13.83 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 65.7 t -71.24 137.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.62 119.09 22.5 Favored Pre-proline 0 C--O 1.245 0.848 0 C-N-CA 123.771 0.828 . . . . 0.0 111.853 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.0 -30.69 90.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 123.546 2.831 . . . . 0.0 112.812 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.23 77.2 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.0 t80 -62.79 -48.41 79.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.006 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' 2078 ' ' MET 0.267 4.3 pp -69.07 -23.4 64.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -73.48 -36.24 65.78 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.77 -35.99 79.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.436 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2078 ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' 2075 ' ' LEU . 28.0 ptm -57.14 -46.8 82.39 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -79.1 -29.51 43.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.27 -28.44 66.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.243 0.544 . . . . 0.0 110.655 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -70.23 98.89 1.43 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -150.27 165.48 32.87 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -169.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 130.26 42.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.921 0.328 . . . . 0.0 110.234 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -86.96 171.52 10.72 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.499 0.72 . . . . 0.0 109.232 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--N 1.321 -0.663 0 CA-C-O 121.456 0.646 . . . . 0.0 110.872 -178.674 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2028 ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' 2077 ' ' TYR . 15.8 tp . . . . . 0 N--CA 1.436 -1.146 0 CA-C-O 121.36 0.6 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.25 96.4 7.86 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 167.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.485 ' CG1' ' HB ' ' A' 2034 ' ' THR . 41.8 t -88.53 123.29 40.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 113.749 -1.568 . . . . 0.0 113.688 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -75.1 -53.11 9.43 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 169.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2032 ' ' LEU . . . . . 0.521 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 3.6 pp 178.28 -14.9 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.091 -1.868 . . . . 0.0 114.381 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -87.45 -17.67 31.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.892 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.485 ' HB ' ' CG1' ' A' 2030 ' ' VAL . 23.9 m -79.85 149.89 30.83 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.529 -177.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -84.15 117.5 23.52 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.5 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.453 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 49.9 mm -82.85 122.35 78.08 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.766 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2037 ' ' PRO . . . . . 0.535 ' HA ' ' O ' ' A' 2047 ' ' LEU . 29.2 Cg_endo -66.77 123.86 11.58 Favored 'Trans proline' 0 N--CA 1.437 -1.845 0 C-N-CA 121.547 1.498 . . . . 0.0 110.121 175.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 13.4 m -124.02 148.01 28.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.592 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2039 ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' 2068 ' ' PHE . 15.1 tt -115.88 134.91 57.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.44 121.63 23.36 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 68.8 mttt -61.96 -38.96 90.46 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 123.774 0.671 . . . . 0.0 110.934 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 45.8 t -73.08 -56.58 9.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.878 -172.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.72 -42.58 12.53 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 109.18 3.5 31.32 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.188 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 5.7 m -57.39 117.15 3.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.609 0.764 . . . . 0.0 109.677 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 47.4 tp -107.16 121.49 44.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' 2037 ' ' PRO . 72.1 mt -98.26 116.67 30.96 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 35.9 m -129.88 163.17 36.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 O-C-N 123.326 0.392 . . . . 0.0 110.176 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.63 -101.42 0.4 Allowed Glycine 0 CA--C 1.516 0.155 0 O-C-N 123.755 0.659 . . . . 0.0 114.449 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.35 -14.0 22.85 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.054 0.454 . . . . 0.0 112.136 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.36 -10.4 32.74 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 111.162 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -90.1 143.56 29.98 Favored Pre-proline 0 C--N 1.3 -1.582 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -83.06 149.24 13.58 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 122.264 1.976 . . . . 0.0 113.388 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.468 ' HB3' ' OE1' ' A' 2057 ' ' GLU . 37.2 ttm105 -64.74 131.08 45.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.521 ' HB3' ' HA ' ' A' 2032 ' ' LEU . 79.9 ttt180 -49.68 -38.16 31.62 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.63 -26.43 63.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.478 0.711 . . . . 0.0 112.028 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2057 ' ' GLU . . . . . 0.468 ' OE1' ' HB3' ' A' 2054 ' ' ARG . 26.6 mt-10 -100.74 -38.04 8.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.226 1.012 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2058 ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -48.33 -46.74 36.86 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 126.855 2.062 . . . . 0.0 113.381 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' 2063 ' ' GLN . 8.0 pt-20 -61.04 -43.3 99.09 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.534 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 63.6 mtt -70.77 -36.42 73.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.37 0.605 . . . . 0.0 109.405 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.36 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.88 -33.2 74.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.794 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' 2059 ' ' GLU . 24.2 mm-40 -63.18 -27.81 69.62 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.23 -8.32 86.96 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.304 176.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 82.55 0.23 Allowed Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 125.33 1.452 . . . . 0.0 113.479 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -90.92 5.59 4.04 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.348 2.032 . . . . 0.0 111.085 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 72.15 35.33 1.27 Allowed 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 124.898 1.279 . . . . 0.0 111.772 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2068 ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' 2039 ' ' ILE . 38.1 m-85 -111.92 139.78 47.13 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.68 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -120.42 162.25 19.84 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 60.1 t -74.57 132.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 7.8 t70 -51.77 121.02 17.32 Favored Pre-proline 0 C--O 1.251 1.183 0 C-N-CA 123.656 0.783 . . . . 0.0 112.331 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.73 -30.08 77.87 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.053 2.502 . . . . 0.0 112.001 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.462 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 11.4 ttp180 -63.29 -51.53 65.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.86 -52.53 56.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.105 0.962 . . . . 0.0 111.194 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.52 -29.78 68.44 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -74.81 -35.31 62.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.79 0.328 . . . . 0.0 110.993 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2077 ' ' TYR . . . . . 0.448 ' CD2' HD21 ' A' 2028 ' ' LEU . 68.6 t80 -68.99 -47.28 65.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.814 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 25.3 ttt -60.62 -28.64 68.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.661 0.743 . . . . 0.0 110.022 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.62 -30.47 65.82 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.918 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.48 -47.58 75.92 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -76.3 133.32 40.06 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -54.59 116.83 2.9 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 123.921 0.763 . . . . 0.0 112.922 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -69.74 -50.85 39.44 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -81.6 88.13 6.23 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.424 -1.763 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.764 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.78 -33.24 68.33 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.716 1.606 . . . . 0.0 113.553 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' 2034 ' ' THR . 92.6 t -66.32 -16.74 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 CA-C-O 122.09 0.948 . . . . 0.0 109.691 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.3 t70 61.41 5.58 1.21 Allowed 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 126.14 1.776 . . . . 0.0 112.824 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 58.0 mt 73.2 -15.13 0.56 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.967 1.707 . . . . 0.0 113.589 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.91 -17.19 28.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.132 0.491 . . . . 0.0 111.447 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.438 ' HB ' ' CG1' ' A' 2030 ' ' VAL . 20.7 m -71.5 132.3 44.53 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 53.1 mtt180 -79.65 111.92 16.41 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.145 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.54 116.84 66.07 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.005 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.66 124.63 9.91 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 C-N-CA 121.856 1.704 . . . . 0.0 109.293 174.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -114.97 144.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.533 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2039 ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' 2045 ' ' THR . 13.3 tt -123.37 128.43 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.097 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.25 127.49 33.1 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2041 ' ' LYS . . . . . 0.475 ' HB3' ' HZ2' ' A' 2041 ' ' LYS . 9.5 mtpm? -64.32 -36.68 84.92 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 52.5 t -86.27 -59.05 2.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.307 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.35 -48.41 23.19 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 122.917 0.487 . . . . 0.0 111.823 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.56 10.8 28.34 Favored Glycine 0 C--N 1.306 -1.091 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2045 ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' 2039 ' ' ILE . 2.8 m -58.81 110.43 1.01 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.581 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.1 tp -106.74 121.6 44.7 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.334 0.588 . . . . 0.0 110.377 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 81.9 mt -107.37 115.44 30.17 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 31.0 m -124.56 153.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 55.54 -110.69 1.96 Allowed Glycine 0 C--O 1.224 -0.472 0 O-C-N 124.161 0.913 . . . . 0.0 114.571 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.03 -39.86 83.28 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 123.922 0.889 . . . . 0.0 112.442 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.68 1.65 57.15 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.382 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -102.9 122.69 44.79 Favored Pre-proline 0 N--CA 1.43 -1.425 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -73.51 154.8 50.4 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 121.617 1.545 . . . . 0.0 112.246 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 0.7 OUTLIER -65.24 146.85 54.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.478 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 22.6 tpt180 -49.21 -36.17 19.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.26 91.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.93 0.395 . . . . 0.0 111.211 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.18 -33.29 20.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.481 0.658 . . . . 0.0 110.392 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2058 ' ' LEU . . . . . 0.478 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -61.04 -33.05 72.68 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 111.545 -177.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.71 -53.95 52.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.511 0.672 . . . . 0.0 110.401 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 96.9 mmm -66.7 -27.56 67.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.055 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 77.2 t90 -71.66 -48.52 47.11 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.556 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.24 -31.75 70.49 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 122.807 0.443 . . . . 0.0 111.383 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -55.83 -36.28 67.32 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.818 176.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -85.07 -24.38 44.82 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.912 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -142.59 86.38 9.77 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.966 0.413 . . . . 0.0 111.312 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -79.12 11.93 2.45 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 112.245 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.15 -1.2 57.21 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.702 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -104.55 136.1 44.72 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.089 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -112.59 172.84 6.68 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -86.77 140.8 15.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.52 123.15 72.54 Favored Pre-proline 0 C--O 1.245 0.835 0 O-C-N 123.262 0.351 . . . . 0.0 111.582 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.97 -24.12 67.44 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.15 2.567 . . . . 0.0 113.701 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -78.76 -32.71 46.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.21 -36.14 83.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.1 -42.03 94.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.961 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2076 ' ' ALA . . . . . 0.613 ' HA ' ' OE1' ' A' 2079 ' ' GLU . . . -64.21 -20.99 66.4 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 121.516 0.674 . . . . 0.0 111.736 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.17 -31.73 70.56 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.531 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2078 ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.5 mmt -69.76 -25.95 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2079 ' ' GLU . . . . . 0.613 ' OE1' ' HA ' ' A' 2076 ' ' ALA . 1.2 mp0 -66.29 -50.29 64.16 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.659 0.742 . . . . 0.0 109.766 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -49.5 73.31 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 113.726 -1.579 . . . . 0.0 108.408 177.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2081 ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' 2078 ' ' MET . 20.0 ttm180 63.41 -68.85 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 127.676 2.391 . . . . 0.0 113.63 174.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -133.87 85.87 2.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.743 0.782 . . . . 0.0 111.759 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -158.48 -51.3 0.06 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 68.59 109.82 0.05 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.159 1.384 . . . . 0.0 113.473 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 121.928 0.871 . . . . 0.0 109.017 176.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.44 -44.94 95.29 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.968 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.425 HG13 ' CG2' ' A' 2034 ' ' THR . 2.4 p -112.19 126.3 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.775 0 CA-C-N 113.007 -1.906 . . . . 0.0 107.298 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.03 -33.87 59.65 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.541 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 3.2 pp -170.17 -20.17 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 -174.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.25 11.2 1.0 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -172.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.425 ' CG2' HG13 ' A' 2030 ' ' VAL . 7.5 t -134.5 169.28 17.5 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -93.31 131.83 38.08 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.32 112.84 57.18 Favored Pre-proline 0 C--N 1.3 -1.555 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2037 ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' 2047 ' ' LEU . 48.5 Cg_endo -70.4 120.76 7.39 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.504 1.469 . . . . 0.0 110.271 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.8 m -117.56 154.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.526 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.5 tt -127.67 131.52 69.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.1 129.67 40.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -69.58 -25.62 64.07 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 44.9 t -91.95 -48.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-O 121.052 0.453 . . . . 0.0 111.631 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -91.96 -33.06 15.01 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 94.64 15.2 47.36 Favored Glycine 0 C--N 1.305 -1.153 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.8 m -65.11 107.93 1.69 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 110.564 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2046 ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' 2047 ' ' LEU . 1.8 tm? -91.02 139.63 30.59 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' 2052 ' ' ALA . 76.5 mt -126.07 104.36 8.22 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.548 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2048 ' ' VAL . . . . . 0.418 HG11 HD13 ' A' 2046 ' ' LEU . 8.2 m -111.19 170.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 171.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.43 -132.91 44.95 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.351 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.77 -3.75 57.02 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.66 -24.04 45.4 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' 2047 ' ' LEU . . . -86.37 144.69 38.5 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.37 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.16 158.4 45.37 Favored 'Trans proline' 0 C--O 1.255 1.339 0 C-N-CA 122.166 1.911 . . . . 0.0 111.539 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -73.58 146.7 44.52 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' 2058 ' ' LEU . 10.0 tpt180 -59.4 -31.84 69.62 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 123.373 0.42 . . . . 0.0 110.794 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -52.77 -36.86 58.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.197 0.599 . . . . 0.0 112.21 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -117.18 9.74 13.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.778 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2058 ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -58.73 -57.4 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.854 0.462 . . . . 0.0 112.065 -173.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.94 -31.38 70.23 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.976 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 26.6 mmt -66.79 -35.55 80.35 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.641 0.734 . . . . 0.0 109.822 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 52.6 t90 -71.36 -46.33 60.72 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.026 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.81 -32.33 73.51 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.598 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.51 -29.79 68.12 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.733 0.813 . . . . 0.0 110.476 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -99.7 -16.11 29.77 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.562 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 5.6 t60 -151.84 87.65 4.34 Favored Pre-proline 0 C--N 1.31 -1.117 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -84.33 15.17 2.24 Favored 'Trans proline' 0 N--CA 1.481 0.75 0 C-N-CA 123.474 2.783 . . . . 0.0 113.667 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.14 6.76 27.75 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.935 0.398 . . . . 0.0 111.911 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.55 142.87 45.44 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.88 0.372 . . . . 0.0 111.018 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -117.52 167.32 11.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.1 p -83.77 143.26 12.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.14 129.77 88.73 Favored Pre-proline 0 C--O 1.245 0.841 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.001 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.56 -29.17 84.11 Favored 'Trans proline' 0 C--O 1.243 0.757 0 C-N-CA 123.299 2.666 . . . . 0.0 114.051 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.14 -21.3 43.31 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.001 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -71.31 -32.16 68.27 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 174.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' 2079 ' ' GLU . 92.3 mt -64.67 -36.17 83.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.263 174.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.73 85.88 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.145 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.928 0.491 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 1.6 tmt? -66.6 -38.02 86.13 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.346 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2079 ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' 2075 ' ' LEU . 35.5 mt-10 -73.14 -51.4 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.809 0.814 . . . . 0.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2080 ' ' ASP . . . . . 0.524 ' O ' ' HD3' ' A' 2083 ' ' LYS . 24.2 t70 -61.58 -32.37 72.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 114.179 -1.373 . . . . 0.0 112.331 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 70.56 -73.31 0.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.425 1.09 . . . . 0.0 108.809 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -170.7 22.77 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2083 ' ' LYS . . . . . 0.524 ' HD3' ' O ' ' A' 2080 ' ' ASP . 1.1 mptm? -77.61 -70.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -172.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -147.78 118.1 7.37 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.631 0.729 . . . . 0.0 112.322 -171.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--N 1.316 -0.868 0 CA-C-O 121.819 0.818 . . . . 0.0 110.199 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -142.75 -45.82 0.31 Allowed 'General case' 0 C--N 1.309 -1.183 0 O-C-N 122.007 -0.433 . . . . 0.0 111.138 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 88.6 t -135.76 153.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.112 -1.811 . . . . 0.0 106.112 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.07 37.51 3.12 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.325 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 96.6 mt 68.05 -52.83 0.53 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.5 -10.43 59.55 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.37 0.605 . . . . 0.0 111.624 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 34.6 m -59.31 130.68 48.14 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 124.815 1.246 . . . . 0.0 110.015 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -85.84 95.51 9.46 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.404 HG13 ' HD3' ' A' 2055 ' ' ARG . 45.9 mm -74.56 122.95 88.66 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.095 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -68.15 139.87 47.67 Favored 'Trans proline' 0 C--O 1.245 0.863 0 C-N-CA 122.48 2.12 . . . . 0.0 111.947 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.7 m -126.12 154.49 35.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.206 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2039 ' ' ILE . . . . . 0.419 HG12 ' N ' ' A' 2040 ' ' ASN . 11.8 tt -139.52 157.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2040 ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' 2067 ' ' GLU . 1.1 m120 -55.51 140.81 39.28 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 167.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2041 ' ' LYS . . . . . 0.424 ' HE3' ' HB1' ' A' 2069 ' ' ALA . 45.7 mttp -74.46 -13.4 60.7 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.991 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -76.55 -19.83 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 73.0 89.17 0.09 Allowed 'General case' 0 CA--C 1.458 -2.559 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.257 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -165.18 -67.44 0.02 OUTLIER Glycine 0 N--CA 1.401 -3.636 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2045 ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' 2039 ' ' ILE . 85.9 m -73.68 100.97 3.51 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.889 -0.655 . . . . 0.0 110.329 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 58.8 tp -97.68 138.73 34.63 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' 2052 ' ' ALA . 84.6 mt -122.61 123.12 40.44 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 35.4 m -131.26 161.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.41 -125.27 17.39 Favored Glycine 0 C--N 1.315 -0.624 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -88.12 -4.41 58.76 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.99 0.424 . . . . 0.0 111.764 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.63 -22.75 40.28 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' 2047 ' ' LEU . . . -99.71 149.09 35.6 Favored Pre-proline 0 N--CA 1.433 -1.278 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.21 174.19 11.69 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.283 1.989 . . . . 0.0 112.409 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -79.94 159.38 26.34 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 174.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.404 ' HD3' HG13 ' A' 2036 ' ' ILE . 8.8 tpt180 -61.13 -32.62 72.32 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.334 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.24 66.94 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -102.95 -26.04 13.24 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.7 -51.4 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 126.64 1.976 . . . . 0.0 114.406 -169.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.24 -47.99 74.86 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.891 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 57.3 mtm -64.2 -39.84 94.82 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.998 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.66 -49.36 73.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.395 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.38 -33.7 76.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 120.775 0.321 . . . . 0.0 111.538 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -22.82 67.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.33 0.586 . . . . 0.0 110.897 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -106.3 8.92 41.77 Favored Glycine 0 N--CA 1.429 -1.806 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.014 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.3 m80 -142.53 82.55 12.61 Favored Pre-proline 0 C--N 1.318 -0.786 0 C-N-CA 122.729 0.412 . . . . 0.0 110.366 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -66.32 -22.54 52.81 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.258 1.972 . . . . 0.0 112.503 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' 2040 ' ' ASN . 14.5 pt-20 -78.29 -4.87 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.534 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2068 ' ' PHE . . . . . 0.473 ' CD2' ' HG3' ' A' 2067 ' ' GLU . 69.2 m-85 -120.95 156.66 31.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.424 ' HB1' ' HE3' ' A' 2041 ' ' LYS . . . -153.61 165.98 34.22 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -62.95 141.1 18.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.79 122.82 68.21 Favored Pre-proline 0 C--O 1.243 0.747 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.61 -25.16 54.86 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 112.21 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -77.36 -38.21 50.64 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.95 -39.32 91.73 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.43 -50.77 72.5 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.54 80.88 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.857 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2077 ' ' TYR . . . . . 0.485 ' OH ' ' HG3' ' A' 2082 ' ' ARG . 40.3 t80 -65.73 -41.71 91.89 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.02 0.928 . . . . 0.0 111.041 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 74.2 mtm -65.86 -39.44 90.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.51 -31.39 53.46 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.082 0.468 . . . . 0.0 110.252 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2080 ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.9 t70 -59.82 -28.16 67.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.163 0.985 . . . . 0.0 109.825 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2081 ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' 2080 ' ' ASP . 68.5 mtm180 83.4 20.28 0.19 Allowed 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 124.937 1.295 . . . . 0.0 111.717 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2082 ' ' ARG . . . . . 0.485 ' HG3' ' OH ' ' A' 2077 ' ' TYR . 35.9 ttm180 74.33 -61.26 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.802 1.241 . . . . 0.0 112.561 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2083 ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' 2080 ' ' ASP . 86.0 mttt 64.34 -75.91 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.871 1.268 . . . . 0.0 112.035 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -123.06 140.83 52.62 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.235 -175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2085 ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' 2085 ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 CA-C-O 122.362 1.077 . . . . 0.0 111.709 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.426 -1.628 0 CA-C-O 122.094 0.95 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -60.85 -32.6 72.01 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.89 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.51 ' CG2' ' HG2' ' A' 2055 ' ' ARG . 15.5 m -146.96 176.93 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 174.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -85.71 21.83 1.77 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 120.994 0.426 . . . . 0.0 112.145 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 85.6 mt 70.84 -17.48 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -5.18 51.12 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 11.9 t -77.24 157.99 30.52 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 121.201 0.524 . . . . 0.0 110.669 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.09 102.74 15.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.76 121.7 82.18 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.561 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -67.93 116.62 4.4 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.062 1.841 . . . . 0.0 109.658 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.8 m -112.41 137.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2039 ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -120.65 129.95 75.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2040 ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 24.0 t-20 -69.9 129.55 39.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -73.4 -35.42 65.87 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2042 ' ' VAL . . . . . 0.412 HG13 ' OD1' ' A' 2040 ' ' ASN . 8.8 p -80.23 -48.65 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.674 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.98 -53.83 6.64 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.743 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 108.67 8.52 28.23 Favored Glycine 0 C--N 1.293 -1.81 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.554 -175.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2045 ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' 2039 ' ' ILE . 21.1 m -62.98 112.14 2.46 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.2 tp -100.26 115.66 30.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.93 127.84 37.55 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.7 m -129.58 156.24 41.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 74.5 -148.13 38.3 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.381 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -71.8 -8.02 51.74 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.433 0.635 . . . . 0.0 111.413 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.5 -18.27 49.08 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.851 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -95.94 146.68 31.73 Favored Pre-proline 0 N--CA 1.432 -1.369 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.87 143.35 79.43 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 121.874 1.716 . . . . 0.0 111.377 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -71.84 145.11 48.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.51 ' HG2' ' CG2' ' A' 2030 ' ' VAL . 49.2 tpt85 -49.15 -36.02 18.21 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -177.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.44 96.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.036 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.23 -45.7 17.54 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.04 -39.24 19.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.44 1.896 . . . . 0.0 111.575 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.61 -52.83 63.87 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2060 ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' 2063 ' ' GLN . 1.0 OUTLIER -75.1 -32.49 61.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 53.8 t90 -57.9 -56.37 22.85 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.021 1.328 . . . . 0.0 110.536 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.5 -33.12 59.31 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.727 0.642 . . . . 0.0 112.386 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' 2060 ' ' MET . 8.9 tt0 -58.36 -44.97 89.03 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.879 0.872 . . . . 0.0 112.277 -177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.65 -15.96 27.86 Favored Glycine 0 C--N 1.302 -1.346 0 C-N-CA 119.655 -1.259 . . . . 0.0 112.232 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 30.1 t60 -158.15 92.28 2.12 Favored Pre-proline 0 C--N 1.297 -1.688 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2066 ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' 2068 ' ' PHE . 12.6 Cg_endo -78.19 -80.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.404 -3.736 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 172.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 51.39 -35.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.052 2.541 . . . . 0.0 114.545 -173.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2068 ' ' PHE . . . . . 0.554 ' H ' ' C ' ' A' 2066 ' ' PRO . 31.3 m-85 -105.71 172.42 6.81 Favored 'General case' 0 C--N 1.247 -3.883 0 C-N-CA 127.713 2.405 . . . . 0.0 106.658 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -146.0 162.28 38.22 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 5.4 p -70.1 134.22 30.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.3 124.73 62.33 Favored Pre-proline 0 C--O 1.248 1.016 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.15 -22.81 53.67 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.699 2.266 . . . . 0.0 114.094 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.616 ' O ' ' HD3' ' A' 2073 ' ' ARG . 0.1 OUTLIER -81.49 -31.44 32.9 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.96 -38.82 92.6 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.125 0.488 . . . . 0.0 109.809 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.61 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.327 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.64 -38.85 91.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.348 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.78 -43.49 98.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.219 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.17 -33.12 50.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.79 -40.76 80.65 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.292 0.37 . . . . 0.0 110.13 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 60.95 -159.02 0.32 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -85.1 65.51 9.27 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.232 -0.987 . . . . 0.0 110.019 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 70.48 81.89 0.16 Allowed 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.868 1.267 . . . . 0.0 113.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -66.93 159.2 28.95 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.82 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.385 1.474 . . . . 0.0 110.663 -177.312 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 99.1 mt . . . . . 0 C--O 1.246 0.895 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -103.52 168.14 9.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.405 ' CG2' ' HG2' ' A' 2055 ' ' ARG . 17.4 m -66.68 -27.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-O 121.227 0.537 . . . . 0.0 110.867 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 25.1 t70 51.94 26.28 3.59 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.073 1.349 . . . . 0.0 111.948 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 86.0 mt 70.21 -0.71 2.71 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.062 1.345 . . . . 0.0 114.454 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -99.78 -17.76 17.54 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.757 0.708 . . . . 0.0 112.006 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.5 m -65.14 136.78 57.1 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' A' 2052 ' ' ALA . 14.1 mmt180 -82.79 102.56 11.66 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2036 ' ' ILE . . . . . 0.408 ' O ' ' HB1' ' A' 2052 ' ' ALA . 47.7 mm -72.54 116.36 48.8 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.659 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2037 ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' 2047 ' ' LEU . 5.5 Cg_exo -70.32 118.82 5.9 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 121.918 1.745 . . . . 0.0 109.495 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -117.56 147.08 21.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.883 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.8 tt -124.06 133.8 68.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.98 124.59 24.44 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -67.96 -25.19 65.32 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 51.5 t -89.73 -58.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.91 -47.82 15.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.29 0.567 . . . . 0.0 111.974 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.63 12.37 22.99 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -174.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.8 m -65.45 113.0 3.82 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 57.0 tp -97.99 126.27 43.33 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' 2037 ' ' PRO . 79.5 mt -104.93 124.81 50.13 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 19.7 m -130.41 171.54 17.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 O-C-N 123.737 0.648 . . . . 0.0 109.558 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 57.64 -132.16 52.42 Favored Glycine 0 N--CA 1.446 -0.643 0 O-C-N 123.42 0.45 . . . . 0.0 112.505 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.4 5.75 43.78 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.48 -18.43 23.21 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.476 ' O ' ' HD2' ' A' 2035 ' ' ARG . . . -83.56 142.81 43.29 Favored Pre-proline 0 N--CA 1.417 -2.097 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.86 146.0 58.25 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.229 1.953 . . . . 0.0 112.339 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' 2057 ' ' GLU . 46.3 ttt180 -71.56 138.23 48.65 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 174.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.407 ' HD3' HG13 ' A' 2036 ' ' ILE . 20.6 tpt180 -49.41 -32.83 12.45 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 123.751 0.82 . . . . 0.0 113.0 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -61.98 -35.89 79.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2057 ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.0 pt-20 -94.92 -16.83 22.53 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.6 -40.17 74.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 111.338 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.17 -41.66 93.29 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.543 0.687 . . . . 0.0 111.051 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 61.5 mtt -75.21 -40.8 58.85 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.928 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 25.5 t90 -65.12 -48.46 73.54 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.366 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 39.8 mt -68.1 -34.41 76.33 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.06 -21.62 63.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.841 0.829 . . . . 0.0 109.343 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -78.4 -0.65 79.27 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.333 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 36.7 m80 61.97 76.52 0.39 Allowed Pre-proline 0 N--CA 1.466 0.363 0 C-N-CA 125.371 1.468 . . . . 0.0 113.1 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -95.74 -8.15 1.33 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.028 1.819 . . . . 0.0 112.159 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 69.83 28.68 4.26 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.254 1.421 . . . . 0.0 111.581 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.6 153.82 21.8 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.829 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -132.03 162.38 30.9 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -72.96 137.89 22.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 123.292 0.37 . . . . 0.0 110.965 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.442 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.4 t70 -62.94 128.25 91.86 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.21 -24.26 76.05 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.541 2.828 . . . . 0.0 113.898 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.442 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 40.9 ttm180 -73.58 -38.03 65.3 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.87 -35.25 78.2 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.877 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 86.3 mt -60.57 -44.1 96.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.0 85.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.426 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.54 -38.55 87.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.105 0.562 . . . . 0.0 110.983 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.58 -40.72 84.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2079 ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' 2082 ' ' ARG . 25.7 mm-40 -70.84 -31.11 67.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.162 0.506 . . . . 0.0 110.755 178.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.13 -29.35 60.58 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.763 0.825 . . . . 0.0 110.824 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -90.53 19.08 5.58 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.472 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2082 ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' 2079 ' ' GLU . 64.5 mtp180 -57.17 -51.08 70.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.657 0.741 . . . . 0.0 109.049 174.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -161.17 139.54 9.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -107.29 129.51 54.88 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 54.4 mtpt . . . . . 0 N--CA 1.419 -2.017 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.987 0.899 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.11 -164.45 2.02 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.21 -167.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-N 118.896 0.771 . . . . 0.0 110.852 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.23 21.58 5.06 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.534 -174.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 83.4 mt 66.83 -44.87 0.45 Allowed 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.79 -12.57 59.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.259 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 9.1 m -61.01 126.91 29.09 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2035 ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 6.2 mpt_? -81.87 113.81 20.05 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 37.0 mm -83.27 118.56 71.97 Favored Pre-proline 0 C--N 1.309 -1.195 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.13 138.78 74.64 Favored 'Trans proline' 0 C--O 1.247 0.975 0 C-N-CA 122.48 2.12 . . . . 0.0 112.104 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.9 m -131.04 152.73 38.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.226 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.9 tt -130.63 128.92 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.455 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2040 ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 26.7 t-20 -73.59 123.37 23.85 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2041 ' ' LYS . . . . . 0.466 ' HZ3' ' HB3' ' A' 2041 ' ' LYS . 2.5 mmmp? -73.96 -21.35 60.05 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -173.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 42.6 t -85.91 -48.87 15.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.78 -37.32 11.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 97.06 27.06 9.69 Favored Glycine 0 C--N 1.296 -1.647 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 3.0 m -73.61 105.08 4.79 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.8 tp -98.21 124.43 42.78 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.094 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 84.4 mt -108.73 114.97 29.2 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 18.5 m -127.59 172.33 14.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 122.868 0.467 . . . . 0.0 109.816 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.68 -118.0 10.09 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.66 7.85 26.72 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.111 0.481 . . . . 0.0 110.346 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.46 -25.6 61.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -91.92 144.09 28.74 Favored Pre-proline 0 N--CA 1.427 -1.616 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.751 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -70.93 158.65 54.85 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.451 2.101 . . . . 0.0 112.518 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2054 ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 26.4 ptt180 -70.28 146.74 50.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -47.78 -41.06 22.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.913 1.685 . . . . 0.0 112.429 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.97 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.183 0.927 . . . . 0.0 111.513 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -93.94 -36.06 12.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.714 0.769 . . . . 0.0 110.36 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.7 -40.0 68.72 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.819 1.648 . . . . 0.0 112.944 -173.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -61.54 -44.35 97.2 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.867 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 50.7 ttm -71.89 -37.81 70.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.186 0.517 . . . . 0.0 109.672 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 68.7 t90 -60.1 -44.61 94.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.54 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.99 -38.81 92.19 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.642 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.11 -28.53 68.88 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -69.59 -14.22 69.41 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.238 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 71.29 79.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 125.232 1.413 . . . . 0.0 112.038 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -93.83 6.23 2.72 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.411 2.074 . . . . 0.0 110.423 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 74.82 13.16 3.5 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.665 1.586 . . . . 0.0 111.088 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2068 ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' 2040 ' ' ASN . 34.2 m-85 -103.46 144.64 31.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.707 174.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -121.32 160.33 24.19 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 6.7 p -69.3 131.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 O-C-N 123.731 0.644 . . . . 0.0 109.862 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.49 117.87 23.77 Favored Pre-proline 0 C--O 1.243 0.741 0 O-C-N 123.7 0.625 . . . . 0.0 110.454 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.19 -16.22 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.643 2.228 . . . . 0.0 113.678 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -80.48 -33.59 36.51 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.324 0.583 . . . . 0.0 109.557 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 59.9 t80 -71.72 -32.02 67.34 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.513 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' 2079 ' ' GLU . 84.4 mt -58.98 -32.73 69.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.59 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.1 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.34 -32.66 66.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.215 0.531 . . . . 0.0 110.362 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.5 ttm -71.22 -31.94 68.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.793 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2079 ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' 2082 ' ' ARG . 44.7 mt-10 -77.35 -31.28 54.34 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.321 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.82 -45.86 85.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.075 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -82.78 78.52 9.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2082 ' ' ARG . . . . . 0.564 ' HB2' ' O ' ' A' 2079 ' ' GLU . 68.1 ttt180 -99.03 76.33 2.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.534 -174.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2083 ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' 2083 ' ' LYS . 11.3 mptt 50.44 67.17 0.96 Allowed 'General case' 0 C--O 1.243 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.828 177.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.67 166.74 32.59 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.741 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 50.0 tttm . . . . . 0 C--N 1.293 -1.879 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.492 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--O 1.238 0.459 0 CA-C-O 121.787 0.803 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2029 ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' A' 2030 ' ' VAL . 17.7 t70 -150.79 -171.71 4.0 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2030 ' ' VAL . . . . . 0.401 ' H ' ' CG ' ' A' 2029 ' ' ASP . 6.4 p -91.19 16.16 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.445 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 72.46 12.51 5.57 Favored 'General case' 0 CA--C 1.498 -1.032 0 C-N-CA 126.722 2.009 . . . . 0.0 112.765 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2032 ' ' LEU . . . . . 0.47 ' C ' ' HG3' ' A' 2055 ' ' ARG . 89.0 mt 55.58 23.1 5.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 123.608 0.568 . . . . 0.0 111.914 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.24 -16.24 10.96 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.577 0.703 . . . . 0.0 110.767 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2034 ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' 2055 ' ' ARG . 27.9 m -101.83 122.41 43.93 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.285 -0.871 . . . . 0.0 108.922 -176.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -65.45 148.92 50.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 118.153 0.433 . . . . 0.0 110.6 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 38.8 mm -102.94 117.36 60.73 Favored Pre-proline 0 C--N 1.302 -1.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.913 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2037 ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' 2047 ' ' LEU . 3.5 Cg_exo -70.71 125.25 11.46 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.759 1.639 . . . . 0.0 109.804 175.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 31.3 m -117.82 148.95 20.29 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.417 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.7 tt -122.91 137.69 55.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.953 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.27 122.93 21.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.13 -28.48 67.92 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.1 t -98.98 -59.87 3.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-O 121.081 0.467 . . . . 0.0 111.869 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -79.12 -25.04 43.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -171.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 91.84 16.49 51.4 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 120.108 -1.044 . . . . 0.0 112.057 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -65.09 114.15 4.42 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.6 tp -108.52 119.6 40.0 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.169 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2047 ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' 2037 ' ' PRO . 68.5 mt -98.4 111.32 23.7 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.289 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.2 m -124.59 168.46 17.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.675 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.7 -139.84 32.28 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.365 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.74 -0.4 38.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.764 0.792 . . . . 0.0 111.902 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.57 -6.0 37.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.866 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2052 ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -87.54 135.52 34.14 Favored Pre-proline 0 N--CA 1.424 -1.742 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 53.5 Cg_exo -55.6 158.33 13.4 Favored 'Trans proline' 0 C--O 1.258 1.487 0 C-N-CA 124.069 3.179 . . . . 0.0 115.12 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -67.47 121.03 14.92 Favored 'General case' 0 N--CA 1.406 -2.625 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.419 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2055 ' ' ARG . . . . . 0.602 ' H ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -48.74 -47.42 41.48 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 125.218 1.407 . . . . 0.0 113.312 -176.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.79 -26.2 68.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -97.28 -19.34 18.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.666 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.64 -39.28 61.61 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 124.721 1.208 . . . . 0.0 112.055 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' 2063 ' ' GLN . 23.6 mt-10 -55.84 -55.19 35.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.683 0.754 . . . . 0.0 109.525 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 47.0 ttm -67.84 -37.66 82.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.31 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 21.9 t90 -60.47 -44.94 95.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.206 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 63.1 mt -67.77 -32.96 73.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.721 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.6 mm100 -63.69 -30.46 71.56 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.09 -28.01 65.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 25.0 t-80 64.57 87.18 0.12 Allowed Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.831 1.652 . . . . 0.0 112.519 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -98.11 25.44 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.948 3.099 . . . . 0.0 111.67 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 83.82 -8.9 1.02 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.549 1.939 . . . . 0.0 111.289 -177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.61 152.64 18.85 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.474 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -141.27 177.06 8.35 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 30.3 m -72.33 146.96 10.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 118.308 0.504 . . . . 0.0 110.785 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2071 ' ' ASP . . . . . 0.515 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 2.0 t70 -69.27 128.28 92.53 Favored Pre-proline 0 C--N 1.304 -1.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.218 177.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.79 -26.31 79.74 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.062 2.508 . . . . 0.0 113.0 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2073 ' ' ARG . . . . . 0.515 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 36.8 ttm180 -74.19 -32.99 63.29 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2074 ' ' PHE . . . . . 0.545 ' O ' ' HB3' ' A' 2077 ' ' TYR . 67.2 t80 -69.6 -34.98 74.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.928 0.891 . . . . 0.0 110.106 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.62 -37.34 86.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.238 0.542 . . . . 0.0 110.113 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.86 70.45 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.711 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2077 ' ' TYR . . . . . 0.556 ' O ' ' HG2' ' A' 2081 ' ' ARG . 57.7 t80 -54.76 -48.22 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.331 0.653 . . . . 0.0 110.317 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.9 mtt -60.54 -55.73 29.85 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.822 0.344 . . . . 0.0 110.766 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -60.46 -38.14 83.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.032 -174.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.28 -45.59 38.93 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2081 ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' 2077 ' ' TYR . 20.2 mmt180 -72.83 -78.15 0.09 Allowed 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.083 -174.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -165.39 25.23 0.05 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2083 ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' 2085 ' ' LYS . 13.6 mptt -118.0 91.48 3.58 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.03 21.26 0.33 Allowed 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2085 ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' 2083 ' ' LYS . 35.4 mtmm . . . . . 0 C--O 1.236 0.347 0 C-N-CA 124.997 1.319 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.47 -7.33 59.57 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 119.067 0.848 . . . . 0.0 111.883 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.9 t -68.45 161.98 26.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -100.54 118.07 35.97 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.561 HG13 ' HD3' ' A' 2055 ' ' ARG . 47.7 mm -89.01 119.3 69.8 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.923 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -66.75 126.51 15.48 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 121.839 1.692 . . . . 0.0 108.968 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.6 m -121.19 150.44 24.21 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.01 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.6 tt -130.12 136.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.583 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.47 115.91 17.61 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.79 -14.51 61.12 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 29.8 t -91.53 -56.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.67 -63.47 1.34 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.429 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 130.75 -15.59 5.42 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.226 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 90.7 m -50.4 119.54 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.88 0.472 . . . . 0.0 112.189 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.1 tp -104.51 126.58 51.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.01 127.84 54.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.5 m -132.52 165.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.261 0.351 . . . . 0.0 110.422 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.63 -137.49 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.72 1.41 55.19 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.364 0.602 . . . . 0.0 111.116 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 8.4 t0 -77.39 -33.0 55.23 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -83.64 142.73 42.99 Favored Pre-proline 0 N--CA 1.423 -1.778 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.514 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -69.28 164.6 33.44 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 123.308 2.672 . . . . 0.0 113.923 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -71.34 150.72 44.82 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.561 ' HD3' HG13 ' A' 2036 ' ' ILE . 13.7 tpt180 -62.36 -30.87 71.49 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-O 120.621 0.248 . . . . 0.0 111.125 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.05 96.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.657 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.81 -23.52 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.76 -42.85 26.59 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.964 1.705 . . . . 0.0 112.058 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' 2063 ' ' GLN . 10.3 tp10 -54.59 -53.93 48.04 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 123.687 0.617 . . . . 0.0 110.202 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 71.3 mtm -75.09 -32.65 61.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 44.3 t90 -62.14 -45.35 93.82 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.838 0.855 . . . . 0.0 110.359 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 61.3 mt -68.44 -32.78 73.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.662 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2059 ' ' GLU . 57.1 mt-30 -61.53 -34.01 74.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.779 0.323 . . . . 0.0 111.466 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.03 54.5 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.435 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -140.79 90.53 9.61 Favored Pre-proline 0 C--N 1.318 -0.764 0 C-N-CA 123.051 0.54 . . . . 0.0 110.617 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -68.7 -2.05 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.099 2.533 . . . . 0.0 112.321 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.0 -36.41 79.41 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.952 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.96 146.0 24.54 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.046 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -142.55 173.52 11.46 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 31.1 m -71.77 149.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 123.344 0.403 . . . . 0.0 109.993 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' 2072 ' ' PRO . 19.3 t70 -63.6 122.46 76.49 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.089 176.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 26.8 Cg_exo -62.48 -26.02 76.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.6 2.2 . . . . 0.0 112.959 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -74.46 -29.1 61.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.2 t80 -68.31 -32.79 73.18 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.96 -39.11 76.22 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.69 -30.55 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.485 0.659 . . . . 0.0 110.2 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -67.66 -33.89 75.83 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.93 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.773 175.521 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.96 -7.42 57.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.997 -0.44 . . . . 0.0 110.757 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.3 m -61.35 132.87 54.92 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.758 0.823 . . . . 0.0 108.874 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -84.72 107.33 16.85 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 40.2 mm -83.0 123.89 77.19 Favored Pre-proline 0 C--N 1.31 -1.138 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.83 137.89 51.12 Favored 'Trans proline' 0 C--O 1.244 0.777 0 C-N-CA 122.374 2.05 . . . . 0.0 111.964 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 27.7 m -130.72 162.12 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.382 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -136.58 137.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.039 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -81.15 117.17 21.47 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.94 -29.65 65.74 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 122.931 0.492 . . . . 0.0 111.546 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.2 t -76.18 -54.33 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.727 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.15 -54.43 5.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.016 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.61 -6.84 9.04 Favored Glycine 0 C--N 1.312 -0.781 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.528 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2045 ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' 2039 ' ' ILE . 1.9 m -53.64 120.32 6.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.522 1.129 . . . . 0.0 111.327 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 53.9 tp -107.47 125.81 51.73 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' 2051 ' ' ASP . 38.3 mt -109.35 124.53 51.12 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 16.9 m -134.99 175.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 123.66 0.6 . . . . 0.0 110.066 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.511 -0.186 0 O-C-N 123.527 0.517 . . . . 0.0 112.7 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -99.23 -3.97 33.03 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.382 0.611 . . . . 0.0 110.67 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2051 ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' 2047 ' ' LEU . 23.9 t70 -84.4 -26.12 28.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -73.98 150.35 88.03 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.639 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.21 136.62 22.44 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.813 2.342 . . . . 0.0 114.162 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.426 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 32.9 ttt180 -55.83 130.42 43.47 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 125.322 1.449 . . . . 0.0 107.821 173.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 24.8 tpt180 -48.28 -45.64 34.99 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.39 70.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 111.27 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2057 ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 25.7 mm-40 -83.27 -41.03 18.79 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.1 tm? -47.91 -49.25 30.57 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.901 2.08 . . . . 0.0 113.688 -174.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.23 -34.81 78.87 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.816 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 69.7 mtm -74.8 -38.13 62.19 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.709 0.766 . . . . 0.0 109.041 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.7 t90 -62.78 -46.03 89.92 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 124.769 1.227 . . . . 0.0 111.713 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.77 -34.04 72.46 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.95 0.5 . . . . 0.0 111.856 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.9 -27.33 68.12 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.786 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.8 -1.29 58.72 Favored Glycine 0 C--N 1.307 -1.044 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.743 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.7 m80 -136.76 76.62 46.82 Favored Pre-proline 0 C--N 1.319 -0.718 0 O-C-N 122.704 -0.292 . . . . 0.0 110.787 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.17 -10.43 28.6 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.52 2.147 . . . . 0.0 112.132 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.33 -26.91 63.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.146 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -104.12 152.51 22.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -144.94 163.5 33.98 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 35.1 m -76.8 151.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-O 120.892 0.377 . . . . 0.0 111.21 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 12.1 t70 -61.97 125.15 84.51 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.978 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 16.9 Cg_exo -67.46 -18.34 49.24 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.049 2.499 . . . . 0.0 113.931 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.526 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 18.3 mtp180 -76.38 -38.53 55.59 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 86.0 t80 -64.03 -40.7 96.91 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.16 -39.05 81.26 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.158 176.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.44 85.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.217 0.532 . . . . 0.0 110.746 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.08 -35.68 74.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 111.086 174.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 C--N 1.311 -1.082 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 -177.873 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 78.8 mt . . . . . 0 C--O 1.244 0.802 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -96.13 -16.71 21.37 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 38.1 m -64.22 137.26 57.85 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 120.741 0.305 . . . . 0.0 110.705 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -82.35 121.41 26.66 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.519 ' O ' ' HB1' ' A' 2052 ' ' ALA . 45.9 mm -93.63 119.75 66.85 Favored Pre-proline 0 C--N 1.297 -1.691 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.538 ' HA ' ' O ' ' A' 2047 ' ' LEU . 11.8 Cg_exo -59.42 118.36 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.498 2.132 . . . . 0.0 110.563 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.3 m -113.25 142.69 24.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.46 ' CG1' ' HA2' ' A' 2044 ' ' GLY . 16.9 tt -116.13 143.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2040 ' ' ASN . . . . . 0.657 ' OD1' ' HB ' ' A' 2042 ' ' VAL . 1.6 t-20 -65.28 136.38 56.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.799 -0.62 . . . . 0.0 109.331 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2041 ' ' LYS . . . . . 0.464 ' HD3' ' C ' ' A' 2067 ' ' GLU . 1.9 mptm? -64.0 -36.14 82.99 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 170.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2042 ' ' VAL . . . . . 0.657 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 21.9 t -68.72 -60.53 2.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.559 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.07 67.52 0.25 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2044 ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' A' 2039 ' ' ILE . . . 72.34 26.99 70.69 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 155.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2045 ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' 2040 ' ' ASN . 16.7 m -74.71 104.11 5.24 Favored 'General case' 0 N--CA 1.399 -3.016 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.8 tp -97.58 119.83 36.84 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.231 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' 2037 ' ' PRO . 64.4 mt -102.55 129.12 49.0 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.8 m -130.55 169.12 21.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 68.41 -134.42 28.62 Favored Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.28 -12.8 57.81 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.176 0.512 . . . . 0.0 110.862 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.1 -32.58 69.23 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -85.11 147.5 47.93 Favored Pre-proline 0 N--CA 1.423 -1.794 0 CA-C-N 114.466 -1.243 . . . . 0.0 107.952 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.401 ' HG2' HD23 ' A' 2058 ' ' LEU . 94.3 Cg_endo -77.11 153.62 32.25 Favored 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.03 1.82 . . . . 0.0 113.55 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -68.58 138.28 54.97 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.504 ' HG2' ' CG1' ' A' 2036 ' ' ILE . 0.6 OUTLIER -50.53 -42.31 54.96 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 118.876 0.762 . . . . 0.0 112.357 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.8 67.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.341 0.4 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -91.28 -26.81 18.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.045 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.401 HD23 ' HG2' ' A' 2053 ' ' PRO . 2.8 tm? -47.73 -43.44 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.994 1.718 . . . . 0.0 112.956 -175.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' 2063 ' ' GLN . 11.0 pt-20 -63.3 -54.67 33.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 43.1 tpp -65.99 -30.44 71.0 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.603 0.716 . . . . 0.0 110.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2061 ' ' TRP . . . . . 0.418 ' O ' ' HD3' ' A' 2066 ' ' PRO . 32.1 t90 -63.76 -46.15 86.6 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.191 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.93 -35.84 77.28 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' 2059 ' ' GLU . 15.2 mm-40 -65.27 -28.75 69.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.935 0.494 . . . . 0.0 112.214 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -81.57 -2.73 90.63 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.922 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 74.4 m80 56.34 80.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 125.325 1.45 . . . . 0.0 113.446 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2066 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 2061 ' ' TRP . 62.0 Cg_endo -90.49 -0.93 5.29 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.755 2.304 . . . . 0.0 111.083 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.504 ' OE1' ' HA ' ' A' 2067 ' ' GLU . 5.6 mm-40 70.13 32.81 2.85 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 124.962 1.305 . . . . 0.0 112.977 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.36 148.77 51.31 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 113.125 -1.852 . . . . 0.0 107.094 173.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.02 169.69 17.36 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 75.4 t -67.47 136.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 25.0 t70 -58.02 124.83 71.81 Favored Pre-proline 0 C--O 1.24 0.597 0 C-N-CA 122.721 0.408 . . . . 0.0 110.263 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.9 -25.41 67.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.765 2.31 . . . . 0.0 112.879 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.451 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 16.0 ttp180 -72.78 -36.2 67.58 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.833 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -36.23 78.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -42.14 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.56 91.64 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.393 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.23 -40.26 85.33 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.374 1.07 . . . . 0.0 111.037 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.069 177.692 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.508 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 82.5 mt . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.396 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 55.1 m -73.08 135.27 44.78 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.368 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -71.18 111.1 6.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.155 0.582 . . . . 0.0 109.817 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.432 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 45.3 mm -87.1 117.83 69.16 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.894 172.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -68.97 133.72 27.76 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.099 1.866 . . . . 0.0 111.157 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 14.9 m -124.79 146.32 30.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.39 135.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -72.57 123.26 22.82 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.77 -23.66 64.34 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 123.357 0.663 . . . . 0.0 112.711 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.5 t -89.98 -59.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.457 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.22 -46.76 14.34 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.71 11.22 25.3 Favored Glycine 0 C--N 1.303 -1.284 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.003 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.2 m -62.7 114.01 3.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 59.9 tp -106.62 125.37 50.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 46.2 mt -104.28 117.55 34.47 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 28.3 m -126.53 158.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.99 -137.89 28.94 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.93 -5.61 54.16 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.088 0.47 . . . . 0.0 111.716 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.78 -23.43 42.17 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.96 0.886 . . . . 0.0 108.764 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.14 146.78 38.99 Favored Pre-proline 0 N--CA 1.428 -1.552 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 152.71 67.97 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.697 1.598 . . . . 0.0 111.834 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -69.94 147.61 49.98 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' 2055 ' ' ARG . 0.0 OUTLIER -58.36 -28.64 65.32 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -172.685 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.18 81.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.647 0.26 . . . . 0.0 111.152 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.66 -16.29 20.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -55.35 -43.56 75.14 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.516 1.126 . . . . 0.0 111.72 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' 2063 ' ' GLN . 35.3 mm-40 -55.19 -56.36 20.8 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.397 0.618 . . . . 0.0 109.804 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -45.28 86.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.702 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 74.0 t90 -58.15 -51.93 67.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.275 1.03 . . . . 0.0 110.352 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.27 -32.08 69.69 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' 2059 ' ' GLU . 25.2 mm-40 -63.79 -31.39 72.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.41 -15.07 39.15 Favored Glycine 0 C--N 1.313 -0.707 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.44 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -128.38 75.22 79.39 Favored Pre-proline 0 C--N 1.311 -1.069 0 O-C-N 122.063 -0.669 . . . . 0.0 109.481 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.83 -0.0 10.08 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.726 2.284 . . . . 0.0 112.825 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.5 -5.82 59.25 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.757 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -106.74 151.9 24.53 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -133.75 155.19 50.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 4.7 p -67.8 133.78 31.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.81 119.44 33.72 Favored Pre-proline 0 C--O 1.243 0.758 0 O-C-N 123.865 0.728 . . . . 0.0 111.289 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.4 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 43.6 Cg_endo -70.12 -16.98 36.19 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.183 2.588 . . . . 0.0 113.256 -176.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -83.81 -34.27 24.74 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.16 -52.84 52.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.573 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' 2078 ' ' MET . 4.1 pp -66.85 -24.67 66.17 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.31 -23.12 67.19 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.53 -40.72 83.74 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 122.393 0.277 . . . . 0.0 111.071 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2078 ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' 2075 ' ' LEU . 27.1 ptm . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 96.0 mt . . . . . 0 CA--C 1.555 1.148 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.28 -17.16 40.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.124 0.875 . . . . 0.0 112.436 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 57.7 m -71.73 146.03 48.41 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -92.44 122.8 35.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.9 119.08 73.69 Favored Pre-proline 0 C--N 1.301 -1.519 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.444 ' HB3' HG12 ' A' 2048 ' ' VAL . 32.6 Cg_endo -67.48 121.79 8.93 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 122.005 1.803 . . . . 0.0 110.823 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -123.03 152.03 27.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.035 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' 2045 ' ' THR . 15.1 tt -133.23 137.3 53.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.416 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2040 ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' 2067 ' ' GLU . 39.3 t-20 -69.6 110.48 4.85 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -64.17 -21.57 66.61 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 69.4 t -89.85 -51.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 CA-C-O 121.05 0.452 . . . . 0.0 110.107 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.43 -40.59 23.14 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 100.21 19.33 19.18 Favored Glycine 0 N--CA 1.433 -1.517 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.813 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2045 ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' 2039 ' ' ILE . 17.8 m -76.21 100.36 5.02 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.4 tp -93.03 124.88 37.32 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 86.9 mt -109.53 116.91 32.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2048 ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' 2037 ' ' PRO . 27.4 m -131.29 162.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.55 -126.12 32.25 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 123.768 0.668 . . . . 0.0 112.658 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.84 -4.24 58.87 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.485 0.66 . . . . 0.0 111.786 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.43 -10.23 54.67 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.521 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -107.13 145.85 32.0 Favored Pre-proline 0 N--CA 1.427 -1.598 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.41 167.7 20.86 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.089 1.86 . . . . 0.0 111.06 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -70.45 156.81 38.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' A' 2032 ' ' LEU . 12.9 tpt180 -55.62 -37.02 67.63 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.052 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -64.25 -19.96 65.73 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.404 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -106.52 -32.08 8.23 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.603 0.716 . . . . 0.0 109.593 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.39 -46.29 76.56 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.676 1.59 . . . . 0.0 114.355 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.08 -48.45 78.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.37 0.605 . . . . 0.0 111.156 -173.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.78 -32.59 69.75 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.418 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 91.5 t90 -64.89 -45.38 86.19 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.36 1.064 . . . . 0.0 110.551 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.69 -33.25 64.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.881 0.872 . . . . 0.0 112.581 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.98 -31.94 73.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 120.891 0.376 . . . . 0.0 110.971 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.16 -2.85 55.83 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.362 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 75.8 m80 -133.37 77.27 66.33 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.56 -14.5 27.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.054 2.502 . . . . 0.0 115.267 -172.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' 2040 ' ' ASN . 64.3 mm-40 -91.4 2.52 56.35 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.638 -0.825 . . . . 0.0 112.528 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -99.98 124.99 45.94 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.229 0.538 . . . . 0.0 110.7 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -122.29 160.52 25.12 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 9.2 p -68.2 140.03 19.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 123.481 0.488 . . . . 0.0 111.606 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.443 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.5 t70 -63.53 133.78 95.63 Favored Pre-proline 0 C--O 1.246 0.914 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.8 178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.79 -23.1 42.15 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.211 2.607 . . . . 0.0 113.912 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.443 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 10.3 ttm180 -75.86 -37.58 58.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 79.5 t80 -64.13 -35.67 81.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.875 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.24 -33.34 75.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.447 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.2 -40.07 86.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -63.73 -32.36 73.82 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.975 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 C--N 1.319 -0.736 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.467 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -15.9 59.85 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.903 0.858 . . . . 0.0 110.121 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.1 m -65.6 116.44 6.85 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 113.836 -1.529 . . . . 0.0 111.301 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.629 ' HD2' ' H ' ' A' 2035 ' ' ARG . 0.0 OUTLIER -62.71 105.54 0.67 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.811 175.438 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.5 mm -76.61 120.41 81.54 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.036 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.34 133.34 32.27 Favored 'Trans proline' 0 C--O 1.25 1.108 0 C-N-CA 122.112 1.875 . . . . 0.0 111.066 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 24.5 m -125.44 154.55 34.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.053 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 13.1 tt -130.68 131.82 64.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 120.928 0.394 . . . . 0.0 110.07 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -78.35 117.3 19.45 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.08 -25.46 66.24 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -84.41 -59.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.251 0.548 . . . . 0.0 109.87 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.85 -35.45 62.36 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.671 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 96.28 -1.52 62.6 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 21.1 m -64.4 109.02 1.79 Allowed 'General case' 0 N--CA 1.428 -1.525 0 C-N-CA 123.746 0.819 . . . . 0.0 111.436 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.7 tp -95.99 127.22 41.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 89.6 mt -110.18 115.77 30.32 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.3 m -124.82 163.28 25.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2049 ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 71.56 -151.91 48.67 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -85.21 17.26 3.11 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.41 -17.39 27.29 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -93.01 152.28 41.27 Favored Pre-proline 0 N--CA 1.438 -1.048 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.552 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.0 154.95 47.96 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.46 2.107 . . . . 0.0 113.003 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 74.9 mtt85 -71.84 151.2 43.62 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -57.31 -33.96 68.22 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 122.505 0.322 . . . . 0.0 111.257 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.96 76.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.766 0.317 . . . . 0.0 111.789 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.23 -4.49 25.65 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.43 -52.02 64.98 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.456 1.102 . . . . 0.0 112.017 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.78 -36.44 74.42 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 25.2 ttt -74.22 -41.23 61.69 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.445 0.641 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 65.2 t90 -68.46 -49.49 59.42 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.971 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.33 -32.25 72.13 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.24 -37.14 71.83 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.99 9.11 57.96 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.952 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.5 m80 -143.95 63.93 12.3 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 123.237 0.615 . . . . 0.0 110.113 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.47 -4.55 15.16 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.098 1.865 . . . . 0.0 113.46 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -86.37 -13.96 44.87 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -97.76 140.35 32.27 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.598 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.17 173.24 11.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.4 p -70.28 137.0 24.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.448 0.467 . . . . 0.0 111.207 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.469 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.7 t70 -56.7 123.73 59.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.06 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.14 -30.11 90.63 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 123.198 2.599 . . . . 0.0 112.31 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.469 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 45.4 ttt180 -68.06 -41.04 82.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.04 -36.26 82.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.2 -40.48 94.12 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.758 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.04 70.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.557 0.343 . . . . 0.0 111.156 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.07 -46.64 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.32 0.581 . . . . 0.0 109.643 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.502 -179.723 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.403 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 84.3 mt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.86 -16.5 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 13.9 t -68.37 156.87 36.93 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.233 0.539 . . . . 0.0 109.679 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -103.62 106.67 17.25 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.27 115.39 40.53 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.431 ' HG2' ' HB2' ' A' 2074 ' ' PHE . 45.0 Cg_endo -68.57 133.48 27.98 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 121.952 1.768 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -127.97 152.43 36.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.046 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.23 136.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -73.31 118.13 15.89 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -67.92 -19.77 65.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 61.5 t -88.72 -59.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.228 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.17 -44.73 29.14 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.368 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.34 5.18 37.48 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.299 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 80.7 m -58.39 115.19 2.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2046 ' ' LEU . . . . . 0.446 ' HG ' HG13 ' A' 2048 ' ' VAL . 67.3 tp -106.65 126.41 52.24 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.429 HD22 ' OD2' ' A' 2051 ' ' ASP . 54.6 mt -107.76 115.62 30.48 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2048 ' ' VAL . . . . . 0.446 HG13 ' HG ' ' A' 2046 ' ' LEU . 20.4 m -131.9 168.19 24.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 73.32 -134.09 19.04 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2050 ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' 2050 ' ' GLU . 0.1 OUTLIER -85.77 -11.82 52.55 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.419 0.628 . . . . 0.0 111.021 -178.537 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2051 ' ' ASP . . . . . 0.429 ' OD2' HD22 ' A' 2047 ' ' LEU . 2.8 t70 -77.21 -25.91 52.21 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.294 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -74.03 140.75 77.36 Favored Pre-proline 0 N--CA 1.427 -1.605 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.445 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.94 144.86 89.14 Favored 'Trans proline' 0 C--O 1.24 0.608 0 C-N-CA 122.792 2.328 . . . . 0.0 113.311 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.495 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 9.8 ttm180 -64.03 138.96 58.71 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -52.87 -38.33 61.45 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -62.68 -26.05 68.46 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2057 ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 12.9 pt-20 -111.41 -6.9 14.41 Favored 'General case' 0 C--O 1.208 -1.098 0 O-C-N 122.3 -0.25 . . . . 0.0 110.809 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.1 -47.38 61.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.108 1.363 . . . . 0.0 110.878 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.84 -44.27 90.93 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.395 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2060 ' ' MET . . . . . 0.513 ' O ' ' HB3' ' A' 2063 ' ' GLN . 65.0 mtt -75.42 -30.73 60.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.495 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.8 t90 -69.7 -45.47 68.17 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.136 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.15 -32.25 71.97 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.073 0.549 . . . . 0.0 111.169 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' 2060 ' ' MET . 34.1 tt0 -55.18 -32.88 62.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.496 0.718 . . . . 0.0 110.257 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -104.46 -3.9 43.7 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.06 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.0 m80 -140.62 78.83 20.69 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.29 7.81 4.75 Favored 'Trans proline' 0 C--O 1.219 -0.471 0 C-N-CA 122.991 2.461 . . . . 0.0 113.229 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -101.03 4.73 42.61 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.46 0.648 . . . . 0.0 110.093 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -114.46 149.91 35.59 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.481 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -139.78 168.01 20.8 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.0 p -64.44 138.81 22.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 O-C-N 123.463 0.477 . . . . 0.0 110.844 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.465 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 21.1 t0 -62.16 120.89 62.17 Favored Pre-proline 0 C--O 1.244 0.767 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.124 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.55 -22.7 67.88 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.554 2.836 . . . . 0.0 112.427 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.465 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 31.1 mtp-105 -72.08 -33.57 68.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 0.0 109.809 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2074 ' ' PHE . . . . . 0.431 ' HB2' ' HG2' ' A' 2037 ' ' PRO . 86.5 t80 -71.59 -33.06 68.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.05 -33.42 73.57 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.14 70.57 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.931 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 49.7 t80 -66.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 110.004 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 C--N 1.315 -0.922 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.474 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.505 ' HA ' ' HB2' ' A' 2054 ' ' ARG . 32.3 mt-10 -91.84 7.08 43.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.419 -0.8 . . . . 0.0 111.726 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 22.5 m -66.61 129.8 41.07 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' 2052 ' ' ALA . 53.3 mtt180 -84.04 102.68 12.68 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 120.743 0.306 . . . . 0.0 110.283 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.535 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.1 mm -73.89 128.4 86.7 Favored Pre-proline 0 C--N 1.311 -1.083 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -66.06 128.72 20.2 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 121.937 1.758 . . . . 0.0 110.701 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.6 m -123.82 143.09 38.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.712 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' 2068 ' ' PHE . 10.8 tt -121.51 136.84 57.12 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -78.24 114.68 17.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 173.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 33.5 t -85.32 -51.37 13.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.9 -59.71 2.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.699 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 124.22 -12.33 8.05 Favored Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.073 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 93.6 m -62.96 122.34 15.79 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 117.184 0.492 . . . . 0.0 111.689 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.4 tp -96.42 126.88 41.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' 2051 ' ' ASP . 48.5 mt -98.29 110.83 23.34 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.021 0.439 . . . . 0.0 109.981 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 17.4 m -129.26 175.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 71.88 -123.52 9.8 Favored Glycine 0 C--N 1.3 -1.435 0 C-N-CA 120.093 -1.051 . . . . 0.0 111.178 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -98.49 -1.44 41.26 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.615 0.721 . . . . 0.0 110.228 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2051 ' ' ASP . . . . . 0.446 ' HB3' HD22 ' A' 2047 ' ' LEU . 3.8 m-20 -80.65 -28.09 36.97 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.213 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.485 ' O ' ' HD3' ' A' 2035 ' ' ARG . . . -82.46 134.76 47.62 Favored Pre-proline 0 C--N 1.299 -1.595 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.502 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -81.02 162.1 20.66 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 122.481 2.121 . . . . 0.0 112.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.505 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 38.0 ptt180 -74.88 146.41 41.91 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.535 ' HD3' HG13 ' A' 2036 ' ' ILE . 16.1 tpt180 -49.72 -37.41 29.17 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 124.428 1.091 . . . . 0.0 112.148 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 122.984 0.513 . . . . 0.0 112.041 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.83 -21.37 18.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.13 -46.09 33.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.075 1.75 . . . . 0.0 112.906 -174.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' 2063 ' ' GLN . 11.5 mm-40 -54.5 -57.5 11.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.222 0.534 . . . . 0.0 111.509 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 67.2 mtt -67.93 -35.87 79.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.395 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.5 t90 -64.92 -41.92 95.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.909 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.22 -32.65 74.31 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 2059 ' ' GLU . 51.5 mt-30 -64.32 -37.46 87.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.223 0.535 . . . . 0.0 109.894 176.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.82 -14.57 82.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 115.674 -0.693 . . . . 0.0 113.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -139.06 86.24 15.11 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 122.821 0.448 . . . . 0.0 110.831 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -69.82 -8.94 24.86 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.379 2.052 . . . . 0.0 111.434 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.01 -41.79 97.36 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.346 1.058 . . . . 0.0 108.986 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2068 ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' 2039 ' ' ILE . 77.1 m-85 -95.68 142.87 27.48 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.568 -175.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.21 168.63 19.35 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -63.87 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 O-C-N 123.551 0.532 . . . . 0.0 109.757 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.4 t70 -58.4 120.3 43.2 Favored Pre-proline 0 C--O 1.247 0.932 0 O-C-N 123.711 0.632 . . . . 0.0 112.396 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 24.2 Cg_exo -64.06 -21.94 67.95 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.161 2.574 . . . . 0.0 112.624 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.573 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 55.3 ttt180 -70.57 -51.41 28.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.7 t80 -52.92 -43.86 66.56 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 123.671 0.788 . . . . 0.0 110.878 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.71 -50.44 73.88 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.929 0.395 . . . . 0.0 111.364 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.89 76.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.936 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -69.92 -44.46 69.6 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.515 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 55.6 ttp . . . . . 0 C--O 1.242 0.692 0 C-N-CA 123.214 0.605 . . . . 0.0 111.571 -177.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.31 -9.88 59.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.588 0.708 . . . . 0.0 110.377 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.77 147.84 52.72 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.66 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 2049 ' ' GLY . 0.0 OUTLIER -103.24 124.09 47.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.471 178.392 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.497 HG13 ' HD3' ' A' 2055 ' ' ARG . 51.4 mm -87.87 128.5 53.92 Favored Pre-proline 0 C--N 1.296 -1.757 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.09 124.61 12.85 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 122.058 1.838 . . . . 0.0 110.409 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 26.6 m -118.69 150.55 20.93 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.3 tt -132.68 136.13 56.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-O 121.132 0.492 . . . . 0.0 110.893 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -79.23 120.26 23.47 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.68 -30.14 64.0 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.97 0.414 . . . . 0.0 111.913 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 43.9 t -78.0 -54.01 13.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.9 -34.42 22.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 92.56 12.43 58.28 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 8.6 m -70.95 113.52 8.08 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 114.967 -0.617 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.8 tp -100.6 123.25 44.56 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.22 114.59 28.87 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 30.3 m -126.93 168.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.841 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2049 ' ' GLY . . . . . 0.536 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 73.64 -147.99 39.49 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.65 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.75 8.37 20.11 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.053 0.454 . . . . 0.0 111.696 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.14 -12.5 26.32 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.952 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.88 150.39 45.49 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.856 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.07 143.06 58.35 Favored 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.359 2.039 . . . . 0.0 112.696 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' 2057 ' ' GLU . 79.0 ttt180 -69.8 140.1 53.28 Favored 'General case' 0 N--CA 1.427 -1.598 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.497 ' HD3' HG13 ' A' 2036 ' ' ILE . 12.5 tpt180 -54.77 -32.52 60.12 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.56 0.618 . . . . 0.0 112.506 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.9 -28.97 69.3 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2057 ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' 2054 ' ' ARG . 15.1 pt-20 -104.92 -7.38 19.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.904 -0.497 . . . . 0.0 110.173 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -52.41 -45.57 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 113.393 -170.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.32 -52.59 57.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.49 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 13.3 mmt -63.68 -33.17 75.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.944 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.58 -50.93 65.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.682 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.47 -32.99 71.94 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.26 -31.13 71.66 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.901 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -94.2 -11.14 57.75 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -128.51 79.78 73.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -69.88 -21.1 33.41 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 113.069 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.25 -17.51 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.662 0.744 . . . . 0.0 109.448 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -99.79 153.09 19.4 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.117 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -148.25 171.85 15.3 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 3.2 p -75.6 141.99 15.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.578 ' OD1' ' HB3' ' A' 2073 ' ' ARG . 12.2 t70 -51.29 118.1 10.21 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 110.559 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -65.26 -26.61 56.44 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.885 2.39 . . . . 0.0 112.631 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.578 ' HB3' ' OD1' ' A' 2071 ' ' ASP . 10.6 ttp180 -72.12 -39.7 68.66 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.983 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2074 ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' 2077 ' ' TYR . 69.9 t80 -66.24 -32.17 73.43 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.2 -38.71 88.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.389 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -68.92 -35.64 77.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.722 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2077 ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' 2074 ' ' PHE . 56.2 t80 -55.93 -35.49 66.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.08 0.952 . . . . 0.0 110.385 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.473 0.684 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.729 178.673 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' 2055 ' ' ARG . 82.0 mt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.33 12.54 5.27 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -172.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.2 t -117.63 173.74 6.56 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -111.13 119.4 38.87 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' 2055 ' ' ARG . 50.4 mm -94.46 125.58 51.34 Favored Pre-proline 0 C--N 1.306 -1.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.856 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.28 135.62 43.88 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.926 1.751 . . . . 0.0 110.883 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 18.4 m -125.89 157.52 35.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.871 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -131.78 137.11 55.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -80.29 118.2 21.74 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -74.13 -21.78 59.73 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 47.4 t -87.25 -50.9 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -83.92 -58.06 2.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 0.0 111.479 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.55 -6.2 9.16 Favored Glycine 0 C--N 1.306 -1.085 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.829 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -53.25 119.0 4.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.375 0.67 . . . . 0.0 110.659 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.06 122.76 45.95 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' 2051 ' ' ASP . 86.7 mt -104.88 118.22 35.99 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.0 m -129.71 157.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.95 -119.39 6.81 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.43 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -89.67 -9.65 48.76 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 121.462 0.648 . . . . 0.0 110.797 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2051 ' ' ASP . . . . . 0.409 ' HB3' HD22 ' A' 2047 ' ' LEU . 16.2 m-20 -82.08 -18.2 43.91 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.272 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -95.98 131.2 29.48 Favored Pre-proline 0 N--CA 1.416 -2.131 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.257 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 16.8 Cg_exo -68.61 161.23 46.09 Favored 'Trans proline' 0 C--O 1.251 1.158 0 C-N-CA 122.472 2.115 . . . . 0.0 113.856 -177.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' 2057 ' ' GLU . 23.2 tpp180 -65.37 137.77 57.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.169 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.487 HH12 ' HB2' ' A' 2059 ' ' GLU . 40.4 tpt85 -58.02 -32.56 68.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.352 0.523 . . . . 0.0 111.531 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.468 ' H ' ' HG3' ' A' 2054 ' ' ARG . . . -62.6 -29.06 70.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 111.841 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2057 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.3 pt-20 -103.87 -12.2 17.04 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.356 0.598 . . . . 0.0 110.775 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.58 -41.89 95.97 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -167.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.487 ' HB2' HH12 ' A' 2055 ' ' ARG . 39.7 tt0 -64.22 -51.38 63.96 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.085 0.469 . . . . 0.0 111.121 -171.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 1.7 mpt? -64.92 -27.94 69.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.144 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 73.7 t90 -70.24 -48.59 56.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.019 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.2 -35.71 81.69 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.161 0.505 . . . . 0.0 111.209 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -64.15 -32.08 73.51 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 123.756 0.822 . . . . 0.0 110.703 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.46 3.84 61.63 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.514 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 66.7 m80 -144.68 84.09 9.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.42 -9.66 26.8 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.758 2.306 . . . . 0.0 112.902 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.85 -29.91 66.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -102.76 140.22 37.31 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.66 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -138.98 164.79 28.81 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.5 p -64.18 140.55 19.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 O-C-N 123.548 0.53 . . . . 0.0 110.315 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.51 118.33 21.72 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 123.05 0.54 . . . . 0.0 111.847 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.58 -20.53 40.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.979 2.453 . . . . 0.0 112.069 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.408 ' HE ' ' HB3' ' A' 2073 ' ' ARG . 27.1 ttp180 -70.58 -42.31 71.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 91.4 t80 -65.66 -43.41 89.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.172 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.83 -45.66 89.49 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.891 0.377 . . . . 0.0 110.706 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.24 95.98 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.273 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -61.66 -37.13 82.93 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.438 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 120.859 0.362 . . . . 0.0 110.295 178.368 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.61 -17.24 27.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 18.6 m -69.08 140.64 54.84 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.832 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' 2035 ' ' ARG . 0.8 OUTLIER -86.05 110.1 19.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.479 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.548 HG13 ' HD3' ' A' 2055 ' ' ARG . 48.7 mm -78.39 122.69 85.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.36 131.92 31.79 Favored 'Trans proline' 0 C--O 1.25 1.092 0 C-N-CA 122.541 2.161 . . . . 0.0 111.426 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.7 m -128.35 152.35 36.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.484 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' 2040 ' ' ASN . 11.7 tt -132.26 156.86 42.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2040 ' ' ASN . . . . . 0.451 ' N ' HG12 ' A' 2039 ' ' ILE . 1.1 m120 -51.45 142.57 13.48 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.537 0.735 . . . . 0.0 112.507 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2041 ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' 2066 ' ' PRO . 7.5 mmmm -71.23 -17.11 62.51 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.78 170.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 32.1 t -86.06 -20.92 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 75.78 90.46 0.08 Allowed 'General case' 0 CA--C 1.466 -2.258 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.628 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -171.9 -69.32 0.04 OUTLIER Glycine 0 N--CA 1.404 -3.469 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.404 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2045 ' ' THR . . . . . 0.407 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 84.3 m -73.24 107.09 5.37 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.987 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 61.6 tp -105.18 130.35 53.36 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.39 109.59 18.56 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 27.7 m -119.45 164.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.0 -132.45 19.35 Favored Glycine 0 N--CA 1.421 -2.308 0 C-N-CA 120.498 -0.858 . . . . 0.0 110.962 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.42 5.34 51.92 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.374 0.607 . . . . 0.0 110.846 -174.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -81.67 -28.49 33.53 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -84.18 152.29 61.39 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.555 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.65 159.76 12.36 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.669 2.246 . . . . 0.0 113.58 -176.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' 2057 ' ' GLU . 67.5 mtm180 -64.35 141.21 58.85 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.548 ' HD3' HG13 ' A' 2036 ' ' ILE . 46.2 tpt85 -49.23 -36.23 19.53 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.213 1.005 . . . . 0.0 113.364 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.83 78.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2057 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 2054 ' ' ARG . 16.1 pt-20 -86.38 -23.58 26.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 109.935 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.23 -42.52 40.81 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.451 1.901 . . . . 0.0 112.442 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.83 -46.44 85.03 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.001 0.905 . . . . 0.0 109.767 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.84 -36.15 75.34 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.737 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.0 t90 -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.255 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.17 -32.99 74.77 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.55 0.34 . . . . 0.0 111.377 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.26 -46.43 90.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.78 -20.22 79.58 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.102 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 69.2 m80 -136.18 81.22 38.76 Favored Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 117.226 0.513 . . . . 0.0 110.361 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2066 ' ' PRO . . . . . 0.426 ' O ' ' HG3' ' A' 2041 ' ' LYS . 57.3 Cg_endo -74.88 3.37 5.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.93 2.42 . . . . 0.0 113.189 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.64 8.66 30.33 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.145 0.498 . . . . 0.0 110.43 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.03 152.98 47.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.468 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.415 ' HB2' ' HD3' ' A' 2041 ' ' LYS . . . -150.1 168.44 23.91 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.97 142.38 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.657 0.598 . . . . 0.0 111.727 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 10.7 t70 -64.08 128.83 93.52 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.608 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 32.5 Cg_exo -61.34 -30.16 87.12 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.237 2.625 . . . . 0.0 113.574 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.455 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 70.4 ttt180 -68.9 -43.94 74.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 92.1 t80 -55.89 -48.24 75.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.131 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' A' 2072 ' ' PRO . 4.1 pp -73.01 -24.91 60.81 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.04 -32.17 73.63 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.004 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -69.3 -32.2 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.742 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.109 175.942 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 86.4 mt . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.44 -16.17 49.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.024 -1.07 . . . . 0.0 113.503 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 31.8 m -66.05 136.47 56.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' 2035 ' ' ARG . 5.9 mpt_? -87.61 123.27 32.3 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.404 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.5 mm -81.24 125.04 80.23 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.015 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.92 116.12 3.25 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.312 2.008 . . . . 0.0 111.566 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -112.69 142.04 26.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.449 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.412 ' HB ' HD13 ' A' 2046 ' ' LEU . 13.5 tt -126.33 137.69 56.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-O 121.303 0.573 . . . . 0.0 111.518 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -71.31 113.5 8.4 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.13 -15.55 61.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 50.1 t -85.53 -56.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.52 -59.43 2.32 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.745 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 127.8 -2.07 6.9 Favored Glycine 0 C--N 1.305 -1.192 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.585 -173.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 51.3 m -57.63 110.58 0.91 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.099 0.56 . . . . 0.0 111.121 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2046 ' ' LEU . . . . . 0.412 HD13 ' HB ' ' A' 2039 ' ' ILE . 58.2 tp -99.68 128.82 45.77 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.4 128.91 48.79 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 21.0 m -137.63 161.65 33.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.15 -125.74 27.58 Favored Glycine 0 N--CA 1.438 -1.206 0 O-C-N 123.673 0.608 . . . . 0.0 111.94 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.15 -2.85 58.92 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.732 0.777 . . . . 0.0 110.759 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.56 -11.2 37.97 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.938 0.875 . . . . 0.0 108.936 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -101.74 152.02 38.03 Favored Pre-proline 0 N--CA 1.427 -1.578 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -81.65 142.45 12.88 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 121.95 1.766 . . . . 0.0 112.125 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.99 141.75 53.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.417 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 16.6 tpt85 -51.44 -33.66 31.73 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -62.01 -40.23 94.97 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.177 0.591 . . . . 0.0 112.249 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -96.55 -21.28 17.77 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 2.9 tm? -54.78 -34.48 62.71 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.125 1.77 . . . . 0.0 112.41 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' 2063 ' ' GLN . 9.3 tp10 -59.66 -49.45 77.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.307 0.38 . . . . 0.0 109.976 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.38 -45.97 72.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.857 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -67.03 -44.3 80.61 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.271 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . 0.276 35.1 mt -67.58 -30.38 69.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 176.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' 2059 ' ' GLU . 29.6 mm-40 -54.83 -39.19 68.29 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -79.92 -33.34 33.66 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.522 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . 0.269 39.3 p-80 37.67 85.09 0.17 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 125.402 1.481 . . . . 0.0 114.45 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.39 -61.57 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.117 1.878 . . . . 0.0 112.255 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.96 24.56 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 122.442 1.115 . . . . 0.0 108.415 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.73 150.99 39.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.919 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.97 171.61 13.83 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 65.7 t -71.24 137.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.62 119.09 22.5 Favored Pre-proline 0 C--O 1.245 0.848 0 C-N-CA 123.771 0.828 . . . . 0.0 111.853 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.423 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 52.6 Cg_exo -58.0 -30.69 90.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 123.546 2.831 . . . . 0.0 112.812 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.23 77.2 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.0 t80 -62.79 -48.41 79.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.006 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' A' 2078 ' ' MET 0.267 4.3 pp -69.07 -23.4 64.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -73.48 -36.24 65.78 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.77 -35.99 79.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.436 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2078 ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' 2075 ' ' LEU . 28.0 ptm . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 3.6 pp . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -87.45 -17.67 31.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.892 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 23.9 m -79.85 149.89 30.83 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.529 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.411 ' N ' ' HD2' ' A' 2035 ' ' ARG . 9.4 mpt_? -84.15 117.5 23.52 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.5 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.478 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 49.9 mm -82.85 122.35 78.08 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.766 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.553 ' HA ' ' O ' ' A' 2047 ' ' LEU . 29.2 Cg_endo -66.77 123.86 11.58 Favored 'Trans proline' 0 N--CA 1.437 -1.845 0 C-N-CA 121.547 1.498 . . . . 0.0 110.121 175.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2038 ' ' VAL . . . . . 0.409 HG11 HD21 ' A' 2058 ' ' LEU . 13.4 m -124.02 148.01 28.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.592 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' 2068 ' ' PHE . 15.1 tt -115.88 134.91 57.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.44 121.63 23.36 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 68.8 mttt -61.96 -38.96 90.46 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 123.774 0.671 . . . . 0.0 110.934 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 45.8 t -73.08 -56.58 9.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.878 -172.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.72 -42.58 12.53 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 109.18 3.5 31.32 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.188 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 5.7 m -57.39 117.15 3.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.609 0.764 . . . . 0.0 109.677 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 47.4 tp -107.16 121.49 44.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' 2037 ' ' PRO . 72.1 mt -98.26 116.67 30.96 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2048 ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' 2037 ' ' PRO . 35.9 m -129.88 163.17 36.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 O-C-N 123.326 0.392 . . . . 0.0 110.176 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.63 -101.42 0.4 Allowed Glycine 0 CA--C 1.516 0.155 0 O-C-N 123.755 0.659 . . . . 0.0 114.449 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.35 -14.0 22.85 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.054 0.454 . . . . 0.0 112.136 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.36 -10.4 32.74 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 111.162 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -90.1 143.56 29.98 Favored Pre-proline 0 C--N 1.3 -1.582 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 5.9 Cg_exo -83.06 149.24 13.58 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 122.264 1.976 . . . . 0.0 113.388 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.481 ' HB3' ' OE1' ' A' 2057 ' ' GLU . 37.2 ttm105 -64.74 131.08 45.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.647 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 79.9 ttt180 -49.68 -38.16 31.62 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.63 -26.43 63.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.478 0.711 . . . . 0.0 112.028 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2057 ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' 2054 ' ' ARG . 26.6 mt-10 -100.74 -38.04 8.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.226 1.012 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -48.33 -46.74 36.86 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 126.855 2.062 . . . . 0.0 113.381 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 2063 ' ' GLN . 8.0 pt-20 -61.04 -43.3 99.09 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.534 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 63.6 mtt -70.77 -36.42 73.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.37 0.605 . . . . 0.0 109.405 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.36 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.88 -33.2 74.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.794 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' 2059 ' ' GLU . 24.2 mm-40 -63.18 -27.81 69.62 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.23 -8.32 86.96 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.304 176.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 82.55 0.23 Allowed Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 125.33 1.452 . . . . 0.0 113.479 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -90.92 5.59 4.04 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.348 2.032 . . . . 0.0 111.085 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 72.15 35.33 1.27 Allowed 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 124.898 1.279 . . . . 0.0 111.772 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2068 ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' 2039 ' ' ILE . 38.1 m-85 -111.92 139.78 47.13 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.68 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -120.42 162.25 19.84 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 60.1 t -74.57 132.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.468 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 7.8 t70 -51.77 121.02 17.32 Favored Pre-proline 0 C--O 1.251 1.183 0 C-N-CA 123.656 0.783 . . . . 0.0 112.331 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.421 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 20.8 Cg_endo -62.73 -30.08 77.87 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.053 2.502 . . . . 0.0 112.001 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.468 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 11.4 ttp180 -63.29 -51.53 65.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.86 -52.53 56.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.105 0.962 . . . . 0.0 111.194 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' 2072 ' ' PRO . 4.4 pp -68.52 -29.78 68.44 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -74.81 -35.31 62.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.79 0.328 . . . . 0.0 110.993 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.99 -47.28 65.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.814 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.661 0.743 . . . . 0.0 110.022 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.91 -17.19 28.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.132 0.491 . . . . 0.0 111.447 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.7 m -71.5 132.3 44.53 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 53.1 mtt180 -79.65 111.92 16.41 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.145 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.54 116.84 66.07 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.005 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.421 ' HB3' HG12 ' A' 2048 ' ' VAL . 7.4 Cg_exo -72.66 124.63 9.91 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 C-N-CA 121.856 1.704 . . . . 0.0 109.293 174.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -114.97 144.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.533 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.422 ' HB ' HD13 ' A' 2046 ' ' LEU . 13.3 tt -123.37 128.43 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.097 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.25 127.49 33.1 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -64.32 -36.68 84.92 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 52.5 t -86.27 -59.05 2.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.307 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.35 -48.41 23.19 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 122.917 0.487 . . . . 0.0 111.823 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.56 10.8 28.34 Favored Glycine 0 C--N 1.306 -1.091 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2045 ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' 2039 ' ' ILE . 2.8 m -58.81 110.43 1.01 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.581 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2046 ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' 2039 ' ' ILE . 60.1 tp -106.74 121.6 44.7 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.334 0.588 . . . . 0.0 110.377 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 81.9 mt -107.37 115.44 30.17 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2048 ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' 2037 ' ' PRO . 31.0 m -124.56 153.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 55.54 -110.69 1.96 Allowed Glycine 0 C--O 1.224 -0.472 0 O-C-N 124.161 0.913 . . . . 0.0 114.571 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.03 -39.86 83.28 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 123.922 0.889 . . . . 0.0 112.442 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.68 1.65 57.15 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.382 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -102.9 122.69 44.79 Favored Pre-proline 0 N--CA 1.43 -1.425 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -73.51 154.8 50.4 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 121.617 1.545 . . . . 0.0 112.246 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 0.7 OUTLIER -65.24 146.85 54.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.837 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.546 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 22.6 tpt180 -49.21 -36.17 19.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.26 91.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.93 0.395 . . . . 0.0 111.211 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.18 -33.29 20.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.481 0.658 . . . . 0.0 110.392 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -61.04 -33.05 72.68 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 111.545 -177.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.71 -53.95 52.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.511 0.672 . . . . 0.0 110.401 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 96.9 mmm -66.7 -27.56 67.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.055 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 77.2 t90 -71.66 -48.52 47.11 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.556 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.24 -31.75 70.49 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 122.807 0.443 . . . . 0.0 111.383 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -55.83 -36.28 67.32 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.818 176.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -85.07 -24.38 44.82 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.912 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -142.59 86.38 9.77 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.966 0.413 . . . . 0.0 111.312 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -79.12 11.93 2.45 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 112.245 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.15 -1.2 57.21 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.702 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -104.55 136.1 44.72 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.089 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -112.59 172.84 6.68 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -86.77 140.8 15.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' 2072 ' ' PRO . 22.9 t70 -60.52 123.15 72.54 Favored Pre-proline 0 C--O 1.245 0.835 0 O-C-N 123.262 0.351 . . . . 0.0 111.582 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 29.7 Cg_exo -63.97 -24.12 67.44 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.15 2.567 . . . . 0.0 113.701 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -78.76 -32.71 46.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.21 -36.14 83.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.1 -42.03 94.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.961 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.21 -20.99 66.4 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 121.516 0.674 . . . . 0.0 111.736 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.17 -31.73 70.56 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.531 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.715 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' A' 2056 ' ' ALA . 3.2 pp . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.25 11.2 1.0 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -172.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.5 t -134.5 169.28 17.5 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -93.31 131.83 38.08 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.32 112.84 57.18 Favored Pre-proline 0 C--N 1.3 -1.555 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.56 ' HB3' HG12 ' A' 2048 ' ' VAL . 48.5 Cg_endo -70.4 120.76 7.39 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.504 1.469 . . . . 0.0 110.271 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.8 m -117.56 154.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.526 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.5 tt -127.67 131.52 69.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.1 129.67 40.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -69.58 -25.62 64.07 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 44.9 t -91.95 -48.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-O 121.052 0.453 . . . . 0.0 111.631 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -91.96 -33.06 15.01 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 94.64 15.2 47.36 Favored Glycine 0 C--N 1.305 -1.153 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.8 m -65.11 107.93 1.69 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 110.564 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2046 ' ' LEU . . . . . 0.842 HD11 HG13 ' A' 2048 ' ' VAL . 1.8 tm? -91.02 139.63 30.59 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' 2052 ' ' ALA . 76.5 mt -126.07 104.36 8.22 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.548 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2048 ' ' VAL . . . . . 0.842 HG13 HD11 ' A' 2046 ' ' LEU . 8.2 m -111.19 170.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 171.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.43 -132.91 44.95 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.351 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.77 -3.75 57.02 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.66 -24.04 45.4 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' 2047 ' ' LEU . . . -86.37 144.69 38.5 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.37 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.16 158.4 45.37 Favored 'Trans proline' 0 C--O 1.255 1.339 0 C-N-CA 122.166 1.911 . . . . 0.0 111.539 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -73.58 146.7 44.52 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.445 ' HA ' ' HB2' ' A' 2058 ' ' LEU . 10.0 tpt180 -59.4 -31.84 69.62 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 123.373 0.42 . . . . 0.0 110.794 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' 2032 ' ' LEU . . . -52.77 -36.86 58.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.197 0.599 . . . . 0.0 112.21 176.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -117.18 9.74 13.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.778 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -58.73 -57.4 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.854 0.462 . . . . 0.0 112.065 -173.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.94 -31.38 70.23 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.976 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 26.6 mmt -66.79 -35.55 80.35 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.641 0.734 . . . . 0.0 109.822 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 52.6 t90 -71.36 -46.33 60.72 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.026 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.81 -32.33 73.51 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.598 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.51 -29.79 68.12 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.733 0.813 . . . . 0.0 110.476 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -99.7 -16.11 29.77 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.562 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 5.6 t60 -151.84 87.65 4.34 Favored Pre-proline 0 C--N 1.31 -1.117 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -84.33 15.17 2.24 Favored 'Trans proline' 0 N--CA 1.481 0.75 0 C-N-CA 123.474 2.783 . . . . 0.0 113.667 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.14 6.76 27.75 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.935 0.398 . . . . 0.0 111.911 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.55 142.87 45.44 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.88 0.372 . . . . 0.0 111.018 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -117.52 167.32 11.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.1 p -83.77 143.26 12.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.14 129.77 88.73 Favored Pre-proline 0 C--O 1.245 0.841 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.001 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.56 -29.17 84.11 Favored 'Trans proline' 0 C--O 1.243 0.757 0 C-N-CA 123.299 2.666 . . . . 0.0 114.051 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.14 -21.3 43.31 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.001 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -71.31 -32.16 68.27 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 174.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.67 -36.17 83.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.263 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.73 85.88 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.145 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.928 0.491 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 C--N 1.311 -1.088 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.346 176.738 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.5 -10.43 59.55 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.37 0.605 . . . . 0.0 111.624 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 34.6 m -59.31 130.68 48.14 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 124.815 1.246 . . . . 0.0 110.015 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -85.84 95.51 9.46 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.46 HG13 ' HD3' ' A' 2055 ' ' ARG . 45.9 mm -74.56 122.95 88.66 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.095 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.428 ' HB3' HG12 ' A' 2048 ' ' VAL . 3.9 Cg_exo -68.15 139.87 47.67 Favored 'Trans proline' 0 C--O 1.245 0.863 0 C-N-CA 122.48 2.12 . . . . 0.0 111.947 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.7 m -126.12 154.49 35.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.206 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.446 HG12 ' N ' ' A' 2040 ' ' ASN . 11.8 tt -139.52 157.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2040 ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' 2067 ' ' GLU . 1.1 m120 -55.51 140.81 39.28 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 167.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2041 ' ' LYS . . . . . 0.519 ' HE3' ' HB2' ' A' 2069 ' ' ALA . 45.7 mttp -74.46 -13.4 60.7 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.991 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -76.55 -19.83 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 73.0 89.17 0.09 Allowed 'General case' 0 CA--C 1.458 -2.559 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.257 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -165.18 -67.44 0.02 OUTLIER Glycine 0 N--CA 1.401 -3.636 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 85.9 m -73.68 100.97 3.51 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.889 -0.655 . . . . 0.0 110.329 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 58.8 tp -97.68 138.73 34.63 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' 2052 ' ' ALA . 84.6 mt -122.61 123.12 40.44 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2048 ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' 2037 ' ' PRO . 35.4 m -131.26 161.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.41 -125.27 17.39 Favored Glycine 0 C--N 1.315 -0.624 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -88.12 -4.41 58.76 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.99 0.424 . . . . 0.0 111.764 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.63 -22.75 40.28 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' 2047 ' ' LEU . . . -99.71 149.09 35.6 Favored Pre-proline 0 N--CA 1.433 -1.278 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.21 174.19 11.69 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.283 1.989 . . . . 0.0 112.409 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -79.94 159.38 26.34 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 174.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.46 ' HD3' HG13 ' A' 2036 ' ' ILE . 8.8 tpt180 -61.13 -32.62 72.32 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.334 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -64.72 -22.24 66.94 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -102.95 -26.04 13.24 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -47.7 -51.4 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 126.64 1.976 . . . . 0.0 114.406 -169.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.24 -47.99 74.86 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.891 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 57.3 mtm -64.2 -39.84 94.82 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.998 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.66 -49.36 73.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.395 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.38 -33.7 76.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 120.775 0.321 . . . . 0.0 111.538 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -22.82 67.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.33 0.586 . . . . 0.0 110.897 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -106.3 8.92 41.77 Favored Glycine 0 N--CA 1.429 -1.806 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.014 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.3 m80 -142.53 82.55 12.61 Favored Pre-proline 0 C--N 1.318 -0.786 0 C-N-CA 122.729 0.412 . . . . 0.0 110.366 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -66.32 -22.54 52.81 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.258 1.972 . . . . 0.0 112.503 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.554 ' O ' ' HA ' ' A' 2040 ' ' ASN . 14.5 pt-20 -78.29 -4.87 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.534 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2068 ' ' PHE . . . . . 0.49 ' CD2' ' HG3' ' A' 2067 ' ' GLU . 69.2 m-85 -120.95 156.66 31.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.519 ' HB2' ' HE3' ' A' 2041 ' ' LYS . . . -153.61 165.98 34.22 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -62.95 141.1 18.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.79 122.82 68.21 Favored Pre-proline 0 C--O 1.243 0.747 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.61 -25.16 54.86 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 112.21 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -77.36 -38.21 50.64 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.95 -39.32 91.73 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.43 -50.77 72.5 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.54 80.88 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.857 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.73 -41.71 91.89 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.02 0.928 . . . . 0.0 111.041 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -5.18 51.12 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 11.9 t -77.24 157.99 30.52 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 121.201 0.524 . . . . 0.0 110.669 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.09 102.74 15.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.76 121.7 82.18 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.561 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -67.93 116.62 4.4 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.062 1.841 . . . . 0.0 109.658 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.8 m -112.41 137.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2039 ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -120.65 129.95 75.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2040 ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 24.0 t-20 -69.9 129.55 39.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -73.4 -35.42 65.87 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2042 ' ' VAL . . . . . 0.415 HG12 ' OD1' ' A' 2040 ' ' ASN . 8.8 p -80.23 -48.65 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.674 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.98 -53.83 6.64 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.743 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 108.67 8.52 28.23 Favored Glycine 0 C--N 1.293 -1.81 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.554 -175.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2045 ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' 2039 ' ' ILE . 21.1 m -62.98 112.14 2.46 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.2 tp -100.26 115.66 30.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.93 127.84 37.55 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.7 m -129.58 156.24 41.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 74.5 -148.13 38.3 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.381 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -71.8 -8.02 51.74 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.433 0.635 . . . . 0.0 111.413 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.5 -18.27 49.08 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.851 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -95.94 146.68 31.73 Favored Pre-proline 0 N--CA 1.432 -1.369 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.87 143.35 79.43 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 121.874 1.716 . . . . 0.0 111.377 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -71.84 145.11 48.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -49.15 -36.02 18.21 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.44 96.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.036 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.23 -45.7 17.54 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.04 -39.24 19.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.44 1.896 . . . . 0.0 111.575 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.61 -52.83 63.87 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2060 ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' 2063 ' ' GLN . 1.0 OUTLIER -75.1 -32.49 61.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 53.8 t90 -57.9 -56.37 22.85 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.021 1.328 . . . . 0.0 110.536 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.5 -33.12 59.31 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.727 0.642 . . . . 0.0 112.386 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' 2060 ' ' MET . 62.1 tt0 -58.36 -44.97 89.03 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.879 0.872 . . . . 0.0 112.277 -177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.65 -15.96 27.86 Favored Glycine 0 C--N 1.302 -1.346 0 C-N-CA 119.655 -1.259 . . . . 0.0 112.232 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 30.1 t60 -158.15 92.28 2.12 Favored Pre-proline 0 C--N 1.297 -1.688 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2066 ' ' PRO . . . . . 0.549 ' C ' ' H ' ' A' 2068 ' ' PHE . 12.6 Cg_endo -78.19 -80.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.404 -3.736 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 172.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 51.39 -35.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.052 2.541 . . . . 0.0 114.545 -173.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2068 ' ' PHE . . . . . 0.549 ' H ' ' C ' ' A' 2066 ' ' PRO . 31.3 m-85 -105.71 172.42 6.81 Favored 'General case' 0 C--N 1.247 -3.883 0 C-N-CA 127.713 2.405 . . . . 0.0 106.658 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -146.0 162.28 38.22 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 5.4 p -70.1 134.22 30.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.3 124.73 62.33 Favored Pre-proline 0 C--O 1.248 1.016 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.15 -22.81 53.67 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.699 2.266 . . . . 0.0 114.094 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.627 ' HD3' ' O ' ' A' 2073 ' ' ARG . 0.1 OUTLIER -81.49 -31.44 32.9 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.96 -38.82 92.6 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.125 0.488 . . . . 0.0 109.809 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.61 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.327 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.64 -38.85 91.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.348 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.219 179.568 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.4 ' HG2' ' NH2' ' A' 2054 ' ' ARG . 46.8 mt-10 -99.78 -17.76 17.54 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.757 0.708 . . . . 0.0 112.006 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.5 m -65.14 136.78 57.1 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' 2052 ' ' ALA . 14.1 mmt180 -82.79 102.56 11.66 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.469 HG13 ' HD3' ' A' 2055 ' ' ARG . 47.7 mm -72.54 116.36 48.8 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.659 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' 2047 ' ' LEU . 5.5 Cg_exo -70.32 118.82 5.9 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 121.918 1.745 . . . . 0.0 109.495 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -117.56 147.08 21.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.883 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.8 tt -124.06 133.8 68.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.98 124.59 24.44 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -67.96 -25.19 65.32 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 51.5 t -89.73 -58.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.91 -47.82 15.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.29 0.567 . . . . 0.0 111.974 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.63 12.37 22.99 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -174.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.8 m -65.45 113.0 3.82 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 57.0 tp -97.99 126.27 43.33 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' 2037 ' ' PRO . 79.5 mt -104.93 124.81 50.13 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 19.7 m -130.41 171.54 17.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 O-C-N 123.737 0.648 . . . . 0.0 109.558 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 57.64 -132.16 52.42 Favored Glycine 0 N--CA 1.446 -0.643 0 O-C-N 123.42 0.45 . . . . 0.0 112.505 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.4 5.75 43.78 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.48 -18.43 23.21 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.495 ' O ' ' HD2' ' A' 2035 ' ' ARG . . . -83.56 142.81 43.29 Favored Pre-proline 0 N--CA 1.417 -2.097 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 13.7 Cg_exo -69.86 146.0 58.25 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.229 1.953 . . . . 0.0 112.339 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.555 ' O ' ' HG2' ' A' 2057 ' ' GLU . 46.3 ttt180 -71.56 138.23 48.65 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 174.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.469 ' HD3' HG13 ' A' 2036 ' ' ILE . 20.6 tpt180 -49.41 -32.83 12.45 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 123.751 0.82 . . . . 0.0 113.0 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.401 ' H ' ' HG2' ' A' 2054 ' ' ARG . . . -61.98 -35.89 79.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2057 ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.0 pt-20 -94.92 -16.83 22.53 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.6 -40.17 74.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 111.338 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.17 -41.66 93.29 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.543 0.687 . . . . 0.0 111.051 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 61.5 mtt -75.21 -40.8 58.85 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.928 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 25.5 t90 -65.12 -48.46 73.54 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.366 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 39.8 mt -68.1 -34.41 76.33 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -70.06 -21.62 63.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.841 0.829 . . . . 0.0 109.343 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -78.4 -0.65 79.27 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.333 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 36.7 m80 61.97 76.52 0.39 Allowed Pre-proline 0 N--CA 1.466 0.363 0 C-N-CA 125.371 1.468 . . . . 0.0 113.1 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -95.74 -8.15 1.33 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.028 1.819 . . . . 0.0 112.159 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 69.83 28.68 4.26 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.254 1.421 . . . . 0.0 111.581 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.6 153.82 21.8 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.829 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -132.03 162.38 30.9 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -72.96 137.89 22.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 123.292 0.37 . . . . 0.0 110.965 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.4 t70 -62.94 128.25 91.86 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2072 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 32.3 Cg_exo -62.21 -24.26 76.05 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.541 2.828 . . . . 0.0 113.898 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.448 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 40.9 ttm180 -73.58 -38.03 65.3 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.87 -35.25 78.2 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.877 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 86.3 mt -60.57 -44.1 96.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.0 85.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.426 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.54 -38.55 87.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.105 0.562 . . . . 0.0 110.983 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 C--N 1.319 -0.748 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.139 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 N--CA 1.504 2.238 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.79 -12.57 59.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.259 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 9.1 m -61.01 126.91 29.09 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2035 ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 6.2 mpt_? -81.87 113.81 20.05 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2036 ' ' ILE . . . . . 0.446 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 37.0 mm -83.27 118.56 71.97 Favored Pre-proline 0 C--N 1.309 -1.195 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.13 138.78 74.64 Favored 'Trans proline' 0 C--O 1.247 0.975 0 C-N-CA 122.48 2.12 . . . . 0.0 112.104 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2038 ' ' VAL . . . . . 0.473 HG11 HD21 ' A' 2058 ' ' LEU . 15.9 m -131.04 152.73 38.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.226 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.9 tt -130.63 128.92 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.455 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2040 ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 26.7 t-20 -73.59 123.37 23.85 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -73.96 -21.35 60.05 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 42.6 t -85.91 -48.87 15.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.78 -37.32 11.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 97.06 27.06 9.69 Favored Glycine 0 C--N 1.296 -1.647 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2045 ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' 2040 ' ' ASN . 3.0 m -73.61 105.08 4.79 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.8 tp -98.21 124.43 42.78 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.094 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 84.4 mt -108.73 114.97 29.2 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 18.5 m -127.59 172.33 14.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 122.868 0.467 . . . . 0.0 109.816 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.68 -118.0 10.09 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.66 7.85 26.72 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.111 0.481 . . . . 0.0 110.346 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.46 -25.6 61.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2052 ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -91.92 144.09 28.74 Favored Pre-proline 0 N--CA 1.427 -1.616 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.751 178.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 14.6 Cg_exo -70.93 158.65 54.85 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.451 2.101 . . . . 0.0 112.518 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2054 ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 26.4 ptt180 -70.28 146.74 50.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 18.2 tpt180 -47.78 -41.06 22.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.913 1.685 . . . . 0.0 112.429 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.97 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.183 0.927 . . . . 0.0 111.513 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -93.94 -36.06 12.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.714 0.769 . . . . 0.0 110.36 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2058 ' ' LEU . . . . . 0.473 HD21 HG11 ' A' 2038 ' ' VAL . 3.2 tm? -54.7 -40.0 68.72 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.819 1.648 . . . . 0.0 112.944 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' 2063 ' ' GLN . 11.3 pt-20 -61.54 -44.35 97.2 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.867 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 50.7 ttm -71.89 -37.81 70.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.186 0.517 . . . . 0.0 109.672 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 68.7 t90 -60.1 -44.61 94.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.54 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.99 -38.81 92.19 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.642 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.9 mm100 -66.11 -28.53 68.88 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -69.59 -14.22 69.41 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.238 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 71.29 79.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 125.232 1.413 . . . . 0.0 112.038 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -93.83 6.23 2.72 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.411 2.074 . . . . 0.0 110.423 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 74.82 13.16 3.5 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.665 1.586 . . . . 0.0 111.088 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2068 ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' A' 2040 ' ' ASN . 34.2 m-85 -103.46 144.64 31.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.707 174.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -121.32 160.33 24.19 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 6.7 p -69.3 131.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 O-C-N 123.731 0.644 . . . . 0.0 109.862 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.49 117.87 23.77 Favored Pre-proline 0 C--O 1.243 0.741 0 O-C-N 123.7 0.625 . . . . 0.0 110.454 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.19 -16.22 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.643 2.228 . . . . 0.0 113.678 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -80.48 -33.59 36.51 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.324 0.583 . . . . 0.0 109.557 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 59.9 t80 -71.72 -32.02 67.34 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.513 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.98 -32.73 69.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.59 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.1 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.34 -32.66 66.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.215 0.531 . . . . 0.0 110.362 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.793 178.618 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 2032 ' ' LEU . . . . . 0.492 ' C ' ' HG3' ' A' 2055 ' ' ARG . 89.0 mt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.05 0.452 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.24 -16.24 10.96 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.577 0.703 . . . . 0.0 110.767 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2034 ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' 2055 ' ' ARG . 27.9 m -101.83 122.41 43.93 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.285 -0.871 . . . . 0.0 108.922 -176.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -65.45 148.92 50.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 118.153 0.433 . . . . 0.0 110.6 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 38.8 mm -102.94 117.36 60.73 Favored Pre-proline 0 C--N 1.302 -1.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.913 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2037 ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' 2047 ' ' LEU . 3.5 Cg_exo -70.71 125.25 11.46 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.759 1.639 . . . . 0.0 109.804 175.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 31.3 m -117.82 148.95 20.29 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.417 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.7 tt -122.91 137.69 55.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.953 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.27 122.93 21.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.13 -28.48 67.92 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.1 t -98.98 -59.87 3.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-O 121.081 0.467 . . . . 0.0 111.869 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -79.12 -25.04 43.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -171.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 91.84 16.49 51.4 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 120.108 -1.044 . . . . 0.0 112.057 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -65.09 114.15 4.42 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.6 tp -108.52 119.6 40.0 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.169 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2047 ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' 2037 ' ' PRO . 68.5 mt -98.4 111.32 23.7 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.289 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.2 m -124.59 168.46 17.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.675 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.7 -139.84 32.28 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.365 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.74 -0.4 38.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.764 0.792 . . . . 0.0 111.902 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.57 -6.0 37.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.866 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -87.54 135.52 34.14 Favored Pre-proline 0 N--CA 1.424 -1.742 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -55.6 158.33 13.4 Favored 'Trans proline' 0 C--O 1.258 1.487 0 C-N-CA 124.069 3.179 . . . . 0.0 115.12 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -67.47 121.03 14.92 Favored 'General case' 0 N--CA 1.406 -2.625 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.419 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2055 ' ' ARG . . . . . 0.723 ' H ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -48.74 -47.42 41.48 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 125.218 1.407 . . . . 0.0 113.312 -176.775 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.79 -26.2 68.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -97.28 -19.34 18.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.666 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.64 -39.28 61.61 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 124.721 1.208 . . . . 0.0 112.055 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' 2063 ' ' GLN . 23.6 mt-10 -55.84 -55.19 35.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.683 0.754 . . . . 0.0 109.525 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 47.0 ttm -67.84 -37.66 82.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.31 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 21.9 t90 -60.47 -44.94 95.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.206 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 63.1 mt -67.77 -32.96 73.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.721 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.6 mm100 -63.69 -30.46 71.56 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.09 -28.01 65.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 25.0 t-80 64.57 87.18 0.12 Allowed Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.831 1.652 . . . . 0.0 112.519 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -98.11 25.44 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.948 3.099 . . . . 0.0 111.67 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 83.82 -8.9 1.02 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.549 1.939 . . . . 0.0 111.289 -177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.61 152.64 18.85 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.474 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -141.27 177.06 8.35 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 30.3 m -72.33 146.96 10.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 118.308 0.504 . . . . 0.0 110.785 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2071 ' ' ASP . . . . . 0.523 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 2.0 t70 -69.27 128.28 92.53 Favored Pre-proline 0 C--N 1.304 -1.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.218 177.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.79 -26.31 79.74 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.062 2.508 . . . . 0.0 113.0 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2073 ' ' ARG . . . . . 0.523 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 36.8 ttm180 -74.19 -32.99 63.29 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2074 ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' A' 2077 ' ' TYR . 67.2 t80 -69.6 -34.98 74.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.928 0.891 . . . . 0.0 110.106 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.62 -37.34 86.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.238 0.542 . . . . 0.0 110.113 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.86 70.45 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.711 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2077 ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' 2074 ' ' PHE . 57.7 t80 -54.76 -48.22 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.331 0.653 . . . . 0.0 110.317 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.9 mtt . . . . . 0 C--O 1.245 0.851 0 CA-C-O 120.822 0.344 . . . . 0.0 110.766 177.786 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.243 0.732 0 CA-C-O 122.644 1.211 . . . . 0.0 108.272 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -160.63 -160.08 0.73 Allowed 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.553 HG13 ' H ' ' A' 2032 ' ' LEU . 9.8 p -102.78 -21.06 5.36 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.111 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.97 2.93 4.1 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 126.158 1.783 . . . . 0.0 114.087 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.553 ' H ' HG13 ' A' 2030 ' ' VAL . 94.2 mt 70.33 -31.83 0.23 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 169.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.47 -7.33 59.57 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 119.067 0.848 . . . . 0.0 111.883 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.464 HG21 HG22 ' A' 2030 ' ' VAL . 1.9 t -68.45 161.98 26.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -100.54 118.07 35.97 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.561 HG13 ' HD3' ' A' 2055 ' ' ARG . 47.7 mm -89.01 119.3 69.8 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.923 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -66.75 126.51 15.48 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 121.839 1.692 . . . . 0.0 108.968 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.6 m -121.19 150.44 24.21 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.01 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.6 tt -130.12 136.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.583 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.47 115.91 17.61 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.79 -14.51 61.12 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 29.8 t -91.53 -56.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.67 -63.47 1.34 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.429 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 130.75 -15.59 5.42 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.226 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 90.7 m -50.4 119.54 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.88 0.472 . . . . 0.0 112.189 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.1 tp -104.51 126.58 51.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.01 127.84 54.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.5 m -132.52 165.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.261 0.351 . . . . 0.0 110.422 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.63 -137.49 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.72 1.41 55.19 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.364 0.602 . . . . 0.0 111.116 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 8.4 t0 -77.39 -33.0 55.23 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -83.64 142.73 42.99 Favored Pre-proline 0 N--CA 1.423 -1.778 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.514 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -69.28 164.6 33.44 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 123.308 2.672 . . . . 0.0 113.923 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -71.34 150.72 44.82 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.561 ' HD3' HG13 ' A' 2036 ' ' ILE . 13.7 tpt180 -62.36 -30.87 71.49 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-O 120.621 0.248 . . . . 0.0 111.125 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.05 96.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.657 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.81 -23.52 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.76 -42.85 26.59 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.964 1.705 . . . . 0.0 112.058 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' 2063 ' ' GLN . 10.3 tp10 -54.59 -53.93 48.04 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 123.687 0.617 . . . . 0.0 110.202 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 71.3 mtm -75.09 -32.65 61.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 44.3 t90 -62.14 -45.35 93.82 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.838 0.855 . . . . 0.0 110.359 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 61.3 mt -68.44 -32.78 73.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.662 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2059 ' ' GLU . 57.1 mt-30 -61.53 -34.01 74.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.779 0.323 . . . . 0.0 111.466 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.03 54.5 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.435 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -140.79 90.53 9.61 Favored Pre-proline 0 C--N 1.318 -0.764 0 C-N-CA 123.051 0.54 . . . . 0.0 110.617 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -68.7 -2.05 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.099 2.533 . . . . 0.0 112.321 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.0 -36.41 79.41 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.952 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.96 146.0 24.54 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.046 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -142.55 173.52 11.46 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 31.1 m -71.77 149.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 123.344 0.403 . . . . 0.0 109.993 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' 2072 ' ' PRO . 19.3 t70 -63.6 122.46 76.49 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.089 176.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 26.8 Cg_exo -62.48 -26.02 76.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.6 2.2 . . . . 0.0 112.959 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -74.46 -29.1 61.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.2 t80 -68.31 -32.79 73.18 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.96 -39.11 76.22 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.69 -30.55 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.485 0.659 . . . . 0.0 110.2 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -67.66 -33.89 75.83 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.93 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.2 mmt -74.01 -29.21 61.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.773 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.93 -41.21 87.4 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.5 -42.62 99.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.228 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -68.94 109.02 3.73 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.637 0.732 . . . . 0.0 110.044 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -129.66 168.4 16.54 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.049 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 19.5 pttp -120.29 -13.21 8.91 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -140.78 161.01 38.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.43 -1.439 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.9 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -147.16 -59.8 0.28 Allowed 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.264 0.554 . . . . 0.0 110.807 -173.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' 2034 ' ' THR . 2.4 p -131.37 119.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.847 0.832 . . . . 0.0 110.8 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -95.76 23.13 6.48 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.736 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.45 ' H ' HG22 ' A' 2030 ' ' VAL . 95.8 mt 72.87 -30.33 0.21 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.117 1.367 . . . . 0.0 113.375 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.96 -7.42 57.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.997 -0.44 . . . . 0.0 110.757 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.465 ' HB ' HG23 ' A' 2030 ' ' VAL . 1.3 m -61.35 132.87 54.92 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.758 0.823 . . . . 0.0 108.874 177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -84.72 107.33 16.85 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 40.2 mm -83.0 123.89 77.19 Favored Pre-proline 0 C--N 1.31 -1.138 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.83 137.89 51.12 Favored 'Trans proline' 0 C--O 1.244 0.777 0 C-N-CA 122.374 2.05 . . . . 0.0 111.964 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 27.7 m -130.72 162.12 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.382 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -136.58 137.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.039 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -81.15 117.17 21.47 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.94 -29.65 65.74 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 122.931 0.492 . . . . 0.0 111.546 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.2 t -76.18 -54.33 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.727 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.15 -54.43 5.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.016 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.61 -6.84 9.04 Favored Glycine 0 C--N 1.312 -0.781 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.528 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2045 ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' 2039 ' ' ILE . 1.9 m -53.64 120.32 6.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.522 1.129 . . . . 0.0 111.327 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 53.9 tp -107.47 125.81 51.73 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' 2051 ' ' ASP . 38.3 mt -109.35 124.53 51.12 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 16.9 m -134.99 175.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 123.66 0.6 . . . . 0.0 110.066 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.511 -0.186 0 O-C-N 123.527 0.517 . . . . 0.0 112.7 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -99.23 -3.97 33.03 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.382 0.611 . . . . 0.0 110.67 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2051 ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' 2047 ' ' LEU . 23.9 t70 -84.4 -26.12 28.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -73.98 150.35 88.03 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.639 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.21 136.62 22.44 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.813 2.342 . . . . 0.0 114.162 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.426 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 32.9 ttt180 -55.83 130.42 43.47 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 125.322 1.449 . . . . 0.0 107.821 173.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 24.8 tpt180 -48.28 -45.64 34.99 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.39 70.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 111.27 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2057 ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 25.7 mm-40 -83.27 -41.03 18.79 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.1 tm? -47.91 -49.25 30.57 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.901 2.08 . . . . 0.0 113.688 -174.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.23 -34.81 78.87 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.816 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 69.7 mtm -74.8 -38.13 62.19 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.709 0.766 . . . . 0.0 109.041 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.7 t90 -62.78 -46.03 89.92 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 124.769 1.227 . . . . 0.0 111.713 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.77 -34.04 72.46 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.95 0.5 . . . . 0.0 111.856 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.9 -27.33 68.12 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.786 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.8 -1.29 58.72 Favored Glycine 0 C--N 1.307 -1.044 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.743 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.7 m80 -136.76 76.62 46.82 Favored Pre-proline 0 C--N 1.319 -0.718 0 O-C-N 122.704 -0.292 . . . . 0.0 110.787 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.17 -10.43 28.6 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.52 2.147 . . . . 0.0 112.132 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.33 -26.91 63.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.146 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -104.12 152.51 22.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -144.94 163.5 33.98 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 35.1 m -76.8 151.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-O 120.892 0.377 . . . . 0.0 111.21 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 12.1 t70 -61.97 125.15 84.51 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.978 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 16.9 Cg_exo -67.46 -18.34 49.24 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.049 2.499 . . . . 0.0 113.931 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.526 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 18.3 mtp180 -76.38 -38.53 55.59 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 86.0 t80 -64.03 -40.7 96.91 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' 2079 ' ' GLU . 82.8 mt -59.16 -39.05 81.26 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.158 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.44 85.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.217 0.532 . . . . 0.0 110.746 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.08 -35.68 74.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 111.086 174.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2078 ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.6 ttt -73.13 -29.82 63.16 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2079 ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' 2075 ' ' LEU . 36.6 mt-10 -75.83 -39.19 57.16 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.212 0.53 . . . . 0.0 110.149 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.49 -45.28 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.989 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2081 ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' 2078 ' ' MET . 67.9 ttt180 45.97 80.26 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.647 1.979 . . . . 0.0 114.812 172.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -160.08 120.06 2.91 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.297 0.57 . . . . 0.0 111.033 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 148.63 25.3 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -119.13 81.45 1.71 Allowed 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.843 0.83 . . . . 0.0 109.765 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 19.7 ptmt . . . . . 0 C--N 1.31 -1.124 0 CA-C-N 113.837 -1.529 . . . . 0.0 108.949 177.537 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -176.64 -53.1 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 124.944 1.298 . . . . 0.0 107.768 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.628 HG21 ' HG3' ' A' 2055 ' ' ARG . 27.6 m -67.66 -19.24 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.386 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.25 14.44 5.61 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.114 1.366 . . . . 0.0 111.285 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.574 ' H ' HG23 ' A' 2030 ' ' VAL . 78.8 mt 69.69 0.71 3.1 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 125.914 1.686 . . . . 0.0 113.426 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -96.13 -16.71 21.37 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 38.1 m -64.22 137.26 57.85 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 120.741 0.305 . . . . 0.0 110.705 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -82.35 121.41 26.66 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.519 ' O ' ' HB1' ' A' 2052 ' ' ALA . 45.9 mm -93.63 119.75 66.85 Favored Pre-proline 0 C--N 1.297 -1.691 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.538 ' HA ' ' O ' ' A' 2047 ' ' LEU . 11.8 Cg_exo -59.42 118.36 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.498 2.132 . . . . 0.0 110.563 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.3 m -113.25 142.69 24.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.46 ' CG1' ' HA2' ' A' 2044 ' ' GLY . 16.9 tt -116.13 143.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2040 ' ' ASN . . . . . 0.657 ' OD1' ' HB ' ' A' 2042 ' ' VAL . 1.6 t-20 -65.28 136.38 56.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.799 -0.62 . . . . 0.0 109.331 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2041 ' ' LYS . . . . . 0.464 ' HD3' ' C ' ' A' 2067 ' ' GLU . 1.9 mptm? -64.0 -36.14 82.99 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 170.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2042 ' ' VAL . . . . . 0.657 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 21.9 t -68.72 -60.53 2.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.559 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.07 67.52 0.25 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2044 ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' A' 2039 ' ' ILE . . . 72.34 26.99 70.69 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 155.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2045 ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' 2040 ' ' ASN . 16.7 m -74.71 104.11 5.24 Favored 'General case' 0 N--CA 1.399 -3.016 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.8 tp -97.58 119.83 36.84 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.231 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' 2037 ' ' PRO . 64.4 mt -102.55 129.12 49.0 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.8 m -130.55 169.12 21.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 68.41 -134.42 28.62 Favored Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.28 -12.8 57.81 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.176 0.512 . . . . 0.0 110.862 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.1 -32.58 69.23 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -85.11 147.5 47.93 Favored Pre-proline 0 N--CA 1.423 -1.794 0 CA-C-N 114.466 -1.243 . . . . 0.0 107.952 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.401 ' HG2' HD23 ' A' 2058 ' ' LEU . 94.3 Cg_endo -77.11 153.62 32.25 Favored 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.03 1.82 . . . . 0.0 113.55 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -68.58 138.28 54.97 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.628 ' HG3' HG21 ' A' 2030 ' ' VAL . 0.6 OUTLIER -50.53 -42.31 54.96 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 118.876 0.762 . . . . 0.0 112.357 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.8 67.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.341 0.4 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -91.28 -26.81 18.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.045 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.401 HD23 ' HG2' ' A' 2053 ' ' PRO . 2.8 tm? -47.73 -43.44 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.994 1.718 . . . . 0.0 112.956 -175.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' 2063 ' ' GLN . 11.0 pt-20 -63.3 -54.67 33.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 43.1 tpp -65.99 -30.44 71.0 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.603 0.716 . . . . 0.0 110.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2061 ' ' TRP . . . . . 0.418 ' O ' ' HD3' ' A' 2066 ' ' PRO . 32.1 t90 -63.76 -46.15 86.6 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.191 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.93 -35.84 77.28 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' 2059 ' ' GLU . 15.2 mm-40 -65.27 -28.75 69.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.935 0.494 . . . . 0.0 112.214 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -81.57 -2.73 90.63 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.922 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 74.4 m80 56.34 80.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 125.325 1.45 . . . . 0.0 113.446 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2066 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 2061 ' ' TRP . 62.0 Cg_endo -90.49 -0.93 5.29 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.755 2.304 . . . . 0.0 111.083 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.504 ' OE1' ' HA ' ' A' 2067 ' ' GLU . 5.6 mm-40 70.13 32.81 2.85 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 124.962 1.305 . . . . 0.0 112.977 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.36 148.77 51.31 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 113.125 -1.852 . . . . 0.0 107.094 173.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.02 169.69 17.36 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 75.4 t -67.47 136.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 25.0 t70 -58.02 124.83 71.81 Favored Pre-proline 0 C--O 1.24 0.597 0 C-N-CA 122.721 0.408 . . . . 0.0 110.263 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.9 -25.41 67.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.765 2.31 . . . . 0.0 112.879 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.451 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 16.0 ttp180 -72.78 -36.2 67.58 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.833 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -36.23 78.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -42.14 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.56 91.64 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.393 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.23 -40.26 85.33 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.374 1.07 . . . . 0.0 111.037 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 58.4 ttp -61.67 -39.49 91.6 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.069 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.55 -35.65 58.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.98 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.39 -35.48 72.07 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.23 1.412 . . . . 0.0 111.416 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.31 -7.37 53.78 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.891 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2082 ' ' ARG . . . . . 0.567 ' HE ' ' HA ' ' A' 2082 ' ' ARG . 2.9 tpm_? -86.9 86.94 7.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 95.1 mttt 72.62 118.72 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.46 1.104 . . . . 0.0 111.322 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -69.39 -44.87 70.61 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 N--CA 1.433 -1.319 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.045 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -79.48 -22.58 43.87 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.733 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.703 HG13 ' HB ' ' A' 2034 ' ' THR . 68.0 t 75.29 -58.02 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 125.057 1.343 . . . . 0.0 109.048 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 31.9 t70 49.96 32.11 5.34 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.236 1.414 . . . . 0.0 111.946 172.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.508 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 82.5 mt 75.52 -22.02 0.28 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.396 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.703 ' HB ' HG13 ' A' 2030 ' ' VAL . 55.1 m -73.08 135.27 44.78 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.368 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -71.18 111.1 6.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.155 0.582 . . . . 0.0 109.817 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.432 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 45.3 mm -87.1 117.83 69.16 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.894 172.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -68.97 133.72 27.76 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.099 1.866 . . . . 0.0 111.157 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 14.9 m -124.79 146.32 30.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.39 135.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -72.57 123.26 22.82 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.77 -23.66 64.34 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 123.357 0.663 . . . . 0.0 112.711 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.5 t -89.98 -59.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.457 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.22 -46.76 14.34 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.71 11.22 25.3 Favored Glycine 0 C--N 1.303 -1.284 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.003 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.2 m -62.7 114.01 3.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 59.9 tp -106.62 125.37 50.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 46.2 mt -104.28 117.55 34.47 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 28.3 m -126.53 158.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.99 -137.89 28.94 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.93 -5.61 54.16 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.088 0.47 . . . . 0.0 111.716 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.78 -23.43 42.17 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.96 0.886 . . . . 0.0 108.764 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.14 146.78 38.99 Favored Pre-proline 0 N--CA 1.428 -1.552 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 152.71 67.97 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.697 1.598 . . . . 0.0 111.834 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -69.94 147.61 49.98 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' 2055 ' ' ARG . 0.0 OUTLIER -58.36 -28.64 65.32 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -172.685 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.18 81.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.647 0.26 . . . . 0.0 111.152 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.66 -16.29 20.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -55.35 -43.56 75.14 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.516 1.126 . . . . 0.0 111.72 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' 2063 ' ' GLN . 35.3 mm-40 -55.19 -56.36 20.8 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.397 0.618 . . . . 0.0 109.804 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -45.28 86.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.702 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 74.0 t90 -58.15 -51.93 67.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.275 1.03 . . . . 0.0 110.352 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.27 -32.08 69.69 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' 2059 ' ' GLU . 25.2 mm-40 -63.79 -31.39 72.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.41 -15.07 39.15 Favored Glycine 0 C--N 1.313 -0.707 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.44 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -128.38 75.22 79.39 Favored Pre-proline 0 C--N 1.311 -1.069 0 O-C-N 122.063 -0.669 . . . . 0.0 109.481 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.83 -0.0 10.08 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.726 2.284 . . . . 0.0 112.825 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.5 -5.82 59.25 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.757 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -106.74 151.9 24.53 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -133.75 155.19 50.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 4.7 p -67.8 133.78 31.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.81 119.44 33.72 Favored Pre-proline 0 C--O 1.243 0.758 0 O-C-N 123.865 0.728 . . . . 0.0 111.289 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.4 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 43.6 Cg_endo -70.12 -16.98 36.19 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.183 2.588 . . . . 0.0 113.256 -176.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -83.81 -34.27 24.74 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.16 -52.84 52.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.573 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' 2078 ' ' MET . 4.1 pp -66.85 -24.67 66.17 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.31 -23.12 67.19 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.53 -40.72 83.74 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 122.393 0.277 . . . . 0.0 111.071 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2078 ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' 2075 ' ' LEU . 27.1 ptm -74.71 -29.99 61.39 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.084 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -77.7 -39.66 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.697 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.26 -29.59 42.67 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.092 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 56.07 178.81 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.365 2.266 . . . . 0.0 113.576 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.7 142.17 27.9 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -101.3 158.53 15.97 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -79.68 77.67 6.28 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.335 1.064 . . . . 0.0 109.389 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 C--N 1.28 -2.437 0 CA-C-N 113.802 -1.544 . . . . 0.0 107.292 178.465 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 121.442 0.639 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.28 123.21 24.92 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.579 HG13 ' HB ' ' A' 2034 ' ' THR . 42.5 t -79.89 -64.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.695 -172.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 37.0 t70 44.81 48.82 9.06 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.955 0.902 . . . . 0.0 111.904 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 96.0 mt 72.3 -39.13 0.44 Allowed 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 172.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.28 -17.16 40.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.124 0.875 . . . . 0.0 112.436 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.579 ' HB ' HG13 ' A' 2030 ' ' VAL . 57.7 m -71.73 146.03 48.41 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -92.44 122.8 35.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.9 119.08 73.69 Favored Pre-proline 0 C--N 1.301 -1.519 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.444 ' HB3' HG12 ' A' 2048 ' ' VAL . 32.6 Cg_endo -67.48 121.79 8.93 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 122.005 1.803 . . . . 0.0 110.823 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -123.03 152.03 27.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.035 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' 2045 ' ' THR . 15.1 tt -133.23 137.3 53.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.416 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2040 ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' 2067 ' ' GLU . 39.3 t-20 -69.6 110.48 4.85 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -64.17 -21.57 66.61 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 69.4 t -89.85 -51.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 CA-C-O 121.05 0.452 . . . . 0.0 110.107 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.43 -40.59 23.14 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 100.21 19.33 19.18 Favored Glycine 0 N--CA 1.433 -1.517 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.813 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2045 ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' 2039 ' ' ILE . 17.8 m -76.21 100.36 5.02 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.4 tp -93.03 124.88 37.32 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 86.9 mt -109.53 116.91 32.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2048 ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' 2037 ' ' PRO . 27.4 m -131.29 162.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.55 -126.12 32.25 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 123.768 0.668 . . . . 0.0 112.658 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.84 -4.24 58.87 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.485 0.66 . . . . 0.0 111.786 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.43 -10.23 54.67 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.521 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -107.13 145.85 32.0 Favored Pre-proline 0 N--CA 1.427 -1.598 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.41 167.7 20.86 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.089 1.86 . . . . 0.0 111.06 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -70.45 156.81 38.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' A' 2032 ' ' LEU . 12.9 tpt180 -55.62 -37.02 67.63 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.052 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -64.25 -19.96 65.73 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.404 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -106.52 -32.08 8.23 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.603 0.716 . . . . 0.0 109.593 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.39 -46.29 76.56 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.676 1.59 . . . . 0.0 114.355 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.08 -48.45 78.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.37 0.605 . . . . 0.0 111.156 -173.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.78 -32.59 69.75 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.418 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 91.5 t90 -64.89 -45.38 86.19 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.36 1.064 . . . . 0.0 110.551 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.69 -33.25 64.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.881 0.872 . . . . 0.0 112.581 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.98 -31.94 73.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 120.891 0.376 . . . . 0.0 110.971 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.16 -2.85 55.83 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.362 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 75.8 m80 -133.37 77.27 66.33 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.56 -14.5 27.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.054 2.502 . . . . 0.0 115.267 -172.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' 2040 ' ' ASN . 64.3 mm-40 -91.4 2.52 56.35 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.638 -0.825 . . . . 0.0 112.528 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -99.98 124.99 45.94 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.229 0.538 . . . . 0.0 110.7 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -122.29 160.52 25.12 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 9.2 p -68.2 140.03 19.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 123.481 0.488 . . . . 0.0 111.606 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.443 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.5 t70 -63.53 133.78 95.63 Favored Pre-proline 0 C--O 1.246 0.914 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.8 178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.79 -23.1 42.15 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.211 2.607 . . . . 0.0 113.912 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.443 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 10.3 ttm180 -75.86 -37.58 58.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 79.5 t80 -64.13 -35.67 81.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.875 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.24 -33.34 75.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.447 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.2 -40.07 86.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -63.73 -32.36 73.82 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.975 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.3 tpp -63.07 -42.9 99.78 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.16 -37.62 81.21 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.121 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.97 -36.71 75.29 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.945 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -74.35 -31.71 62.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.774 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -51.38 -30.64 19.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.343 1.057 . . . . 0.0 112.221 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -127.1 116.1 20.16 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -78.32 -57.27 3.87 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.259 175.914 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 120.291 0.091 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.6 t70 69.13 -58.76 0.49 Allowed 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 125.628 1.571 . . . . 0.0 111.129 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 20.8 m -65.38 162.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 123.928 0.891 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -111.62 27.58 9.54 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.367 0.603 . . . . 0.0 109.881 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.5 mt 72.52 -34.43 0.3 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.699 1.6 . . . . 0.0 113.375 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -15.9 59.85 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.903 0.858 . . . . 0.0 110.121 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.1 m -65.6 116.44 6.85 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 113.836 -1.529 . . . . 0.0 111.301 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.629 ' HD2' ' H ' ' A' 2035 ' ' ARG . 0.0 OUTLIER -62.71 105.54 0.67 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.811 175.438 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.5 mm -76.61 120.41 81.54 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.036 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.34 133.34 32.27 Favored 'Trans proline' 0 C--O 1.25 1.108 0 C-N-CA 122.112 1.875 . . . . 0.0 111.066 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 24.5 m -125.44 154.55 34.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.053 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 13.1 tt -130.68 131.82 64.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 120.928 0.394 . . . . 0.0 110.07 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -78.35 117.3 19.45 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.08 -25.46 66.24 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -84.41 -59.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.251 0.548 . . . . 0.0 109.87 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.85 -35.45 62.36 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.671 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 96.28 -1.52 62.6 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 21.1 m -64.4 109.02 1.79 Allowed 'General case' 0 N--CA 1.428 -1.525 0 C-N-CA 123.746 0.819 . . . . 0.0 111.436 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.7 tp -95.99 127.22 41.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 89.6 mt -110.18 115.77 30.32 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.3 m -124.82 163.28 25.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2049 ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 71.56 -151.91 48.67 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -85.21 17.26 3.11 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.41 -17.39 27.29 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -93.01 152.28 41.27 Favored Pre-proline 0 N--CA 1.438 -1.048 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.552 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.0 154.95 47.96 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.46 2.107 . . . . 0.0 113.003 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 74.9 mtt85 -71.84 151.2 43.62 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -57.31 -33.96 68.22 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 122.505 0.322 . . . . 0.0 111.257 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.96 76.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.766 0.317 . . . . 0.0 111.789 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.23 -4.49 25.65 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.43 -52.02 64.98 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.456 1.102 . . . . 0.0 112.017 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.78 -36.44 74.42 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 25.2 ttt -74.22 -41.23 61.69 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.445 0.641 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 65.2 t90 -68.46 -49.49 59.42 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.971 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.33 -32.25 72.13 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.24 -37.14 71.83 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.99 9.11 57.96 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.952 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.5 m80 -143.95 63.93 12.3 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 123.237 0.615 . . . . 0.0 110.113 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.47 -4.55 15.16 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.098 1.865 . . . . 0.0 113.46 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -86.37 -13.96 44.87 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -97.76 140.35 32.27 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.598 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.17 173.24 11.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.4 p -70.28 137.0 24.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.448 0.467 . . . . 0.0 111.207 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.469 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.7 t70 -56.7 123.73 59.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.06 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.14 -30.11 90.63 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 123.198 2.599 . . . . 0.0 112.31 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.469 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 45.4 ttt180 -68.06 -41.04 82.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.04 -36.26 82.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.2 -40.48 94.12 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.758 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.04 70.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.557 0.343 . . . . 0.0 111.156 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.07 -46.64 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.32 0.581 . . . . 0.0 109.643 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2078 ' ' MET . . . . . 0.478 ' O ' ' HD3' ' A' 2081 ' ' ARG . 23.7 mmt -65.01 -38.95 92.63 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.502 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2079 ' ' GLU . . . . . 0.595 ' HA ' ' NH1' ' A' 2081 ' ' ARG . 16.0 mm-40 -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.671 0.788 . . . . 0.0 111.38 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 24.2 t0 -64.78 -28.08 69.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2081 ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' 2079 ' ' GLU . 51.4 mmt-85 65.59 -163.56 0.25 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.064 1.346 . . . . 0.0 111.363 173.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.92 117.73 16.05 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 172.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 75.0 tttt -115.1 141.97 47.28 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.287 -171.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -83.75 62.9 7.17 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 122.364 1.078 . . . . 0.0 109.388 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 C--N 1.3 -1.587 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 177.037 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 18.3 t70 165.65 -40.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 103.275 -2.861 . . . . 0.0 103.275 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 42.6 t -86.84 113.03 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.788 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.43 167.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.72 18.8 3.79 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.403 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 84.3 mt 73.01 -23.33 0.21 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.987 1.315 . . . . 0.0 113.951 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.86 -16.5 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 13.9 t -68.37 156.87 36.93 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.233 0.539 . . . . 0.0 109.679 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -103.62 106.67 17.25 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.27 115.39 40.53 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.431 ' HG2' ' HB2' ' A' 2074 ' ' PHE . 45.0 Cg_endo -68.57 133.48 27.98 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 121.952 1.768 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -127.97 152.43 36.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.046 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.23 136.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -73.31 118.13 15.89 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -67.92 -19.77 65.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 61.5 t -88.72 -59.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.228 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.17 -44.73 29.14 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.368 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.34 5.18 37.48 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.299 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 80.7 m -58.39 115.19 2.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2046 ' ' LEU . . . . . 0.446 ' HG ' HG13 ' A' 2048 ' ' VAL . 67.3 tp -106.65 126.41 52.24 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.429 HD22 ' OD2' ' A' 2051 ' ' ASP . 54.6 mt -107.76 115.62 30.48 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2048 ' ' VAL . . . . . 0.446 HG13 ' HG ' ' A' 2046 ' ' LEU . 20.4 m -131.9 168.19 24.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 73.32 -134.09 19.04 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2050 ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' 2050 ' ' GLU . 0.1 OUTLIER -85.77 -11.82 52.55 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.419 0.628 . . . . 0.0 111.021 -178.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2051 ' ' ASP . . . . . 0.429 ' OD2' HD22 ' A' 2047 ' ' LEU . 2.8 t70 -77.21 -25.91 52.21 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.294 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -74.03 140.75 77.36 Favored Pre-proline 0 N--CA 1.427 -1.605 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.445 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.94 144.86 89.14 Favored 'Trans proline' 0 C--O 1.24 0.608 0 C-N-CA 122.792 2.328 . . . . 0.0 113.311 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.495 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 9.8 ttm180 -64.03 138.96 58.71 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -52.87 -38.33 61.45 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -62.68 -26.05 68.46 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2057 ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 12.9 pt-20 -111.41 -6.9 14.41 Favored 'General case' 0 C--O 1.208 -1.098 0 O-C-N 122.3 -0.25 . . . . 0.0 110.809 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.1 -47.38 61.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.108 1.363 . . . . 0.0 110.878 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.84 -44.27 90.93 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.395 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2060 ' ' MET . . . . . 0.513 ' O ' ' HB3' ' A' 2063 ' ' GLN . 65.0 mtt -75.42 -30.73 60.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.495 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.8 t90 -69.7 -45.47 68.17 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.136 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.15 -32.25 71.97 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.073 0.549 . . . . 0.0 111.169 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' 2060 ' ' MET . 34.1 tt0 -55.18 -32.88 62.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.496 0.718 . . . . 0.0 110.257 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -104.46 -3.9 43.7 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.06 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.0 m80 -140.62 78.83 20.69 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.29 7.81 4.75 Favored 'Trans proline' 0 C--O 1.219 -0.471 0 C-N-CA 122.991 2.461 . . . . 0.0 113.229 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -101.03 4.73 42.61 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.46 0.648 . . . . 0.0 110.093 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -114.46 149.91 35.59 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.481 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -139.78 168.01 20.8 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.0 p -64.44 138.81 22.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 O-C-N 123.463 0.477 . . . . 0.0 110.844 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.465 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 21.1 t0 -62.16 120.89 62.17 Favored Pre-proline 0 C--O 1.244 0.767 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.124 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.55 -22.7 67.88 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.554 2.836 . . . . 0.0 112.427 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.465 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 31.1 mtp-105 -72.08 -33.57 68.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 0.0 109.809 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2074 ' ' PHE . . . . . 0.431 ' HB2' ' HG2' ' A' 2037 ' ' PRO . 86.5 t80 -71.59 -33.06 68.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' 2079 ' ' GLU . 80.3 mt -69.05 -33.42 73.57 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.14 70.57 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.931 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 49.7 t80 -66.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 110.004 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 52.7 tpp -68.63 -37.02 79.4 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2079 ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' 2075 ' ' LEU . 10.2 mm-40 -66.66 -31.4 72.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.798 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.17 -47.53 82.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.639 176.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.36 -78.79 0.09 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.301 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 51.07 -160.99 0.08 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.434 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -127.4 67.76 1.3 Allowed 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.0 170.7 8.44 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.685 -176.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--N 1.29 -2.021 0 CA-C-O 121.322 0.582 . . . . 0.0 111.16 -177.833 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.533 0.206 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2029 ' ' ASP . . . . . 0.435 ' OD1' HG22 ' A' 2030 ' ' VAL . 11.6 t70 66.06 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.868 1.267 . . . . 0.0 110.175 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' 2029 ' ' ASP . 18.9 m -148.43 -171.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 108.826 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.28 15.7 0.91 Allowed 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 96.8 mt 69.1 -44.04 0.53 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.967 1.307 . . . . 0.0 113.529 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.505 ' HA ' ' HB2' ' A' 2054 ' ' ARG . 32.3 mt-10 -91.84 7.08 43.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.419 -0.8 . . . . 0.0 111.726 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 22.5 m -66.61 129.8 41.07 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' 2052 ' ' ALA . 53.3 mtt180 -84.04 102.68 12.68 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 120.743 0.306 . . . . 0.0 110.283 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.535 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.1 mm -73.89 128.4 86.7 Favored Pre-proline 0 C--N 1.311 -1.083 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -66.06 128.72 20.2 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 121.937 1.758 . . . . 0.0 110.701 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.6 m -123.82 143.09 38.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.712 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' 2068 ' ' PHE . 10.8 tt -121.51 136.84 57.12 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -78.24 114.68 17.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 173.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 33.5 t -85.32 -51.37 13.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.9 -59.71 2.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.699 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 124.22 -12.33 8.05 Favored Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.073 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 93.6 m -62.96 122.34 15.79 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 117.184 0.492 . . . . 0.0 111.689 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.4 tp -96.42 126.88 41.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' 2051 ' ' ASP . 48.5 mt -98.29 110.83 23.34 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.021 0.439 . . . . 0.0 109.981 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 17.4 m -129.26 175.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 71.88 -123.52 9.8 Favored Glycine 0 C--N 1.3 -1.435 0 C-N-CA 120.093 -1.051 . . . . 0.0 111.178 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -98.49 -1.44 41.26 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.615 0.721 . . . . 0.0 110.228 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2051 ' ' ASP . . . . . 0.446 ' HB3' HD22 ' A' 2047 ' ' LEU . 3.8 m-20 -80.65 -28.09 36.97 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.213 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.485 ' O ' ' HD3' ' A' 2035 ' ' ARG . . . -82.46 134.76 47.62 Favored Pre-proline 0 C--N 1.299 -1.595 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.502 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -81.02 162.1 20.66 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 122.481 2.121 . . . . 0.0 112.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.505 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 38.0 ptt180 -74.88 146.41 41.91 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.535 ' HD3' HG13 ' A' 2036 ' ' ILE . 16.1 tpt180 -49.72 -37.41 29.17 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 124.428 1.091 . . . . 0.0 112.148 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 122.984 0.513 . . . . 0.0 112.041 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.83 -21.37 18.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.13 -46.09 33.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.075 1.75 . . . . 0.0 112.906 -174.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' 2063 ' ' GLN . 11.5 mm-40 -54.5 -57.5 11.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.222 0.534 . . . . 0.0 111.509 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 67.2 mtt -67.93 -35.87 79.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.395 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.5 t90 -64.92 -41.92 95.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.909 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.22 -32.65 74.31 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 2059 ' ' GLU . 51.5 mt-30 -64.32 -37.46 87.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.223 0.535 . . . . 0.0 109.894 176.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.82 -14.57 82.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 115.674 -0.693 . . . . 0.0 113.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -139.06 86.24 15.11 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 122.821 0.448 . . . . 0.0 110.831 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -69.82 -8.94 24.86 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.379 2.052 . . . . 0.0 111.434 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.01 -41.79 97.36 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.346 1.058 . . . . 0.0 108.986 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2068 ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' 2039 ' ' ILE . 77.1 m-85 -95.68 142.87 27.48 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.568 -175.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.21 168.63 19.35 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -63.87 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 O-C-N 123.551 0.532 . . . . 0.0 109.757 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.4 t70 -58.4 120.3 43.2 Favored Pre-proline 0 C--O 1.247 0.932 0 O-C-N 123.711 0.632 . . . . 0.0 112.396 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 24.2 Cg_exo -64.06 -21.94 67.95 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.161 2.574 . . . . 0.0 112.624 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.573 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 55.3 ttt180 -70.57 -51.41 28.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.7 t80 -52.92 -43.86 66.56 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 123.671 0.788 . . . . 0.0 110.878 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.71 -50.44 73.88 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.929 0.395 . . . . 0.0 111.364 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.89 76.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.936 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -69.92 -44.46 69.6 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.515 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 55.6 ttp -58.71 -39.9 82.15 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.214 0.605 . . . . 0.0 111.571 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.28 -33.1 55.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.93 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.18 -35.31 73.88 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -55.06 -54.84 37.89 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.664 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -94.75 77.82 3.7 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.167 0.984 . . . . 0.0 110.761 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -165.6 138.74 4.37 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -72.63 -60.7 2.1 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.928 0.394 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.441 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 2029 ' ' ASP . . . . . 0.444 ' OD1' HG22 ' A' 2030 ' ' VAL . 6.2 t70 66.21 -163.99 0.24 Allowed 'General case' 0 C--O 1.244 0.799 0 CA-C-N 113.071 -1.877 . . . . 0.0 109.308 177.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.52 ' HB ' ' OG1' ' A' 2034 ' ' THR . 34.3 m -96.67 -179.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 CA-C-O 120.947 0.403 . . . . 0.0 111.104 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.39 25.65 4.29 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.108 0.48 . . . . 0.0 111.426 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 91.7 mt 69.89 -39.77 0.44 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.506 1.523 . . . . 0.0 114.534 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.31 -9.88 59.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.588 0.708 . . . . 0.0 110.377 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.52 ' OG1' ' HB ' ' A' 2030 ' ' VAL . 0.2 OUTLIER -66.77 147.84 52.72 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.66 177.5 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 2049 ' ' GLY . 0.0 OUTLIER -103.24 124.09 47.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.471 178.392 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.497 HG13 ' HD3' ' A' 2055 ' ' ARG . 51.4 mm -87.87 128.5 53.92 Favored Pre-proline 0 C--N 1.296 -1.757 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.09 124.61 12.85 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 122.058 1.838 . . . . 0.0 110.409 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 26.6 m -118.69 150.55 20.93 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.3 tt -132.68 136.13 56.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-O 121.132 0.492 . . . . 0.0 110.893 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -79.23 120.26 23.47 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.68 -30.14 64.0 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.97 0.414 . . . . 0.0 111.913 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 43.9 t -78.0 -54.01 13.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.9 -34.42 22.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 92.56 12.43 58.28 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 8.6 m -70.95 113.52 8.08 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 114.967 -0.617 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.8 tp -100.6 123.25 44.56 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.22 114.59 28.87 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 30.3 m -126.93 168.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.841 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2049 ' ' GLY . . . . . 0.536 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 73.64 -147.99 39.49 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.65 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.75 8.37 20.11 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.053 0.454 . . . . 0.0 111.696 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.14 -12.5 26.32 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.952 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.88 150.39 45.49 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.856 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.07 143.06 58.35 Favored 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.359 2.039 . . . . 0.0 112.696 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' 2057 ' ' GLU . 79.0 ttt180 -69.8 140.1 53.28 Favored 'General case' 0 N--CA 1.427 -1.598 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.497 ' HD3' HG13 ' A' 2036 ' ' ILE . 12.5 tpt180 -54.77 -32.52 60.12 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.56 0.618 . . . . 0.0 112.506 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.9 -28.97 69.3 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2057 ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' 2054 ' ' ARG . 15.1 pt-20 -104.92 -7.38 19.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.904 -0.497 . . . . 0.0 110.173 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -52.41 -45.57 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 113.393 -170.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.32 -52.59 57.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.49 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 13.3 mmt -63.68 -33.17 75.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.944 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.58 -50.93 65.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.682 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.47 -32.99 71.94 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.26 -31.13 71.66 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.901 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -94.2 -11.14 57.75 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -128.51 79.78 73.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -69.88 -21.1 33.41 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 113.069 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.25 -17.51 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.662 0.744 . . . . 0.0 109.448 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -99.79 153.09 19.4 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.117 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -148.25 171.85 15.3 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 3.2 p -75.6 141.99 15.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.578 ' OD1' ' HB3' ' A' 2073 ' ' ARG . 12.2 t70 -51.29 118.1 10.21 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 110.559 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -65.26 -26.61 56.44 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.885 2.39 . . . . 0.0 112.631 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.578 ' HB3' ' OD1' ' A' 2071 ' ' ASP . 10.6 ttp180 -72.12 -39.7 68.66 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.983 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2074 ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' 2077 ' ' TYR . 69.9 t80 -66.24 -32.17 73.43 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.2 -38.71 88.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.389 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -68.92 -35.64 77.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.722 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2077 ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' 2074 ' ' PHE . 56.2 t80 -55.93 -35.49 66.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.08 0.952 . . . . 0.0 110.385 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.69 -42.09 99.45 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.729 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.59 -40.58 56.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.905 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -68.18 -38.13 81.7 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.883 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 71.35 -62.86 0.44 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.19 1.396 . . . . 0.0 109.887 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -115.71 84.77 2.16 Favored 'General case' 0 N--CA 1.426 -1.625 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 56.8 tttp -95.65 -20.64 18.77 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.905 -173.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -81.17 131.58 35.31 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 56.8 mtpt . . . . . 0 C--O 1.238 0.491 0 O-C-N 124.637 1.211 . . . . 0.0 112.489 179.585 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 C--O 1.24 0.555 0 CA-C-O 121.712 0.768 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -118.47 154.14 32.98 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.071 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 29.7 m -100.57 10.07 7.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 122.85 0.46 . . . . 0.0 112.209 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 71.12 11.32 6.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.26 1.024 . . . . 0.0 112.201 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' 2055 ' ' ARG . 82.0 mt 68.27 -10.46 0.44 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.209 1.404 . . . . 0.0 114.119 176.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.33 12.54 5.27 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -172.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.2 t -117.63 173.74 6.56 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -111.13 119.4 38.87 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' 2055 ' ' ARG . 50.4 mm -94.46 125.58 51.34 Favored Pre-proline 0 C--N 1.306 -1.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.856 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.28 135.62 43.88 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.926 1.751 . . . . 0.0 110.883 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 18.4 m -125.89 157.52 35.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.871 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -131.78 137.11 55.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -80.29 118.2 21.74 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -74.13 -21.78 59.73 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 47.4 t -87.25 -50.9 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -83.92 -58.06 2.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 0.0 111.479 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.55 -6.2 9.16 Favored Glycine 0 C--N 1.306 -1.085 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.829 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -53.25 119.0 4.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.375 0.67 . . . . 0.0 110.659 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.06 122.76 45.95 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' 2051 ' ' ASP . 86.7 mt -104.88 118.22 35.99 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.0 m -129.71 157.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.95 -119.39 6.81 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.43 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -89.67 -9.65 48.76 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 121.462 0.648 . . . . 0.0 110.797 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2051 ' ' ASP . . . . . 0.409 ' HB3' HD22 ' A' 2047 ' ' LEU . 16.2 m-20 -82.08 -18.2 43.91 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.272 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -95.98 131.2 29.48 Favored Pre-proline 0 N--CA 1.416 -2.131 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.257 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 16.8 Cg_exo -68.61 161.23 46.09 Favored 'Trans proline' 0 C--O 1.251 1.158 0 C-N-CA 122.472 2.115 . . . . 0.0 113.856 -177.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' 2057 ' ' GLU . 23.2 tpp180 -65.37 137.77 57.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.169 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.487 HH12 ' HB2' ' A' 2059 ' ' GLU . 40.4 tpt85 -58.02 -32.56 68.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.352 0.523 . . . . 0.0 111.531 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.468 ' H ' ' HG3' ' A' 2054 ' ' ARG . . . -62.6 -29.06 70.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 111.841 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2057 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.3 pt-20 -103.87 -12.2 17.04 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.356 0.598 . . . . 0.0 110.775 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.58 -41.89 95.97 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -167.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.487 ' HB2' HH12 ' A' 2055 ' ' ARG . 39.7 tt0 -64.22 -51.38 63.96 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.085 0.469 . . . . 0.0 111.121 -171.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 1.7 mpt? -64.92 -27.94 69.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.144 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 73.7 t90 -70.24 -48.59 56.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.019 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.2 -35.71 81.69 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.161 0.505 . . . . 0.0 111.209 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -64.15 -32.08 73.51 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 123.756 0.822 . . . . 0.0 110.703 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.46 3.84 61.63 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.514 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 66.7 m80 -144.68 84.09 9.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.42 -9.66 26.8 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.758 2.306 . . . . 0.0 112.902 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.85 -29.91 66.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -102.76 140.22 37.31 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.66 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -138.98 164.79 28.81 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.5 p -64.18 140.55 19.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 O-C-N 123.548 0.53 . . . . 0.0 110.315 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.51 118.33 21.72 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 123.05 0.54 . . . . 0.0 111.847 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.58 -20.53 40.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.979 2.453 . . . . 0.0 112.069 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.408 ' HE ' ' HB3' ' A' 2073 ' ' ARG . 27.1 ttp180 -70.58 -42.31 71.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 91.4 t80 -65.66 -43.41 89.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.172 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.83 -45.66 89.49 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.891 0.377 . . . . 0.0 110.706 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.24 95.98 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.273 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -61.66 -37.13 82.93 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.438 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.06 -45.73 90.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.859 0.362 . . . . 0.0 110.295 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.51 -52.2 28.64 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.915 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.26 -50.26 34.62 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 124.15 0.98 . . . . 0.0 113.25 -174.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 63.25 88.67 0.09 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.357 1.063 . . . . 0.0 113.476 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.69 86.68 5.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -126.49 94.83 4.17 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 65.19 92.43 0.07 Allowed 'General case' 0 C--O 1.245 0.819 0 C-N-CA 124.821 1.248 . . . . 0.0 112.938 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 173.614 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 N--CA 1.429 -1.514 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.73 145.01 56.57 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.554 ' HA ' ' HB ' ' A' 2034 ' ' THR . 46.2 t -58.66 -54.4 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 O-C-N 123.635 0.584 . . . . 0.0 111.281 -174.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 20.8 t70 43.24 37.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.267 1.427 . . . . 0.0 112.353 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 64.8 mt 71.56 -27.7 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.61 -17.24 27.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' 2030 ' ' VAL . 18.6 m -69.08 140.64 54.84 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.832 176.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' 2035 ' ' ARG . 0.8 OUTLIER -86.05 110.1 19.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.479 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.548 HG13 ' HD3' ' A' 2055 ' ' ARG . 48.7 mm -78.39 122.69 85.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.36 131.92 31.79 Favored 'Trans proline' 0 C--O 1.25 1.092 0 C-N-CA 122.541 2.161 . . . . 0.0 111.426 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.7 m -128.35 152.35 36.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.484 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' 2040 ' ' ASN . 11.7 tt -132.26 156.86 42.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2040 ' ' ASN . . . . . 0.451 ' N ' HG12 ' A' 2039 ' ' ILE . 1.1 m120 -51.45 142.57 13.48 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.537 0.735 . . . . 0.0 112.507 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2041 ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' 2066 ' ' PRO . 7.5 mmmm -71.23 -17.11 62.51 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.78 170.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 32.1 t -86.06 -20.92 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 75.78 90.46 0.08 Allowed 'General case' 0 CA--C 1.466 -2.258 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.628 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -171.9 -69.32 0.04 OUTLIER Glycine 0 N--CA 1.404 -3.469 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.404 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2045 ' ' THR . . . . . 0.407 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 84.3 m -73.24 107.09 5.37 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.987 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 61.6 tp -105.18 130.35 53.36 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.39 109.59 18.56 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 27.7 m -119.45 164.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.0 -132.45 19.35 Favored Glycine 0 N--CA 1.421 -2.308 0 C-N-CA 120.498 -0.858 . . . . 0.0 110.962 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.42 5.34 51.92 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.374 0.607 . . . . 0.0 110.846 -174.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -81.67 -28.49 33.53 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -84.18 152.29 61.39 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.555 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.65 159.76 12.36 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.669 2.246 . . . . 0.0 113.58 -176.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' 2057 ' ' GLU . 67.5 mtm180 -64.35 141.21 58.85 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.548 ' HD3' HG13 ' A' 2036 ' ' ILE . 46.2 tpt85 -49.23 -36.23 19.53 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.213 1.005 . . . . 0.0 113.364 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.83 78.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2057 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 2054 ' ' ARG . 16.1 pt-20 -86.38 -23.58 26.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 109.935 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.23 -42.52 40.81 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.451 1.901 . . . . 0.0 112.442 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.83 -46.44 85.03 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.001 0.905 . . . . 0.0 109.767 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.84 -36.15 75.34 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.737 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.0 t90 -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.255 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.17 -32.99 74.77 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.55 0.34 . . . . 0.0 111.377 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.26 -46.43 90.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.78 -20.22 79.58 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.102 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 69.2 m80 -136.18 81.22 38.76 Favored Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 117.226 0.513 . . . . 0.0 110.361 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2066 ' ' PRO . . . . . 0.426 ' O ' ' HG3' ' A' 2041 ' ' LYS . 57.3 Cg_endo -74.88 3.37 5.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.93 2.42 . . . . 0.0 113.189 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.64 8.66 30.33 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.145 0.498 . . . . 0.0 110.43 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.03 152.98 47.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.468 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.415 ' HB2' ' HD3' ' A' 2041 ' ' LYS . . . -150.1 168.44 23.91 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.97 142.38 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.657 0.598 . . . . 0.0 111.727 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 10.7 t70 -64.08 128.83 93.52 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.608 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 32.5 Cg_exo -61.34 -30.16 87.12 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.237 2.625 . . . . 0.0 113.574 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.455 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 70.4 ttt180 -68.9 -43.94 74.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 92.1 t80 -55.89 -48.24 75.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.131 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' A' 2072 ' ' PRO . 4.1 pp -73.01 -24.91 60.81 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.04 -32.17 73.63 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.004 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -69.3 -32.2 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.742 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 64.4 mtt -73.54 -32.22 64.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.109 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2079 ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' 2082 ' ' ARG . 15.5 tp10 -70.04 -36.97 75.42 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.774 0.797 . . . . 0.0 108.926 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.99 -27.31 64.6 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.54 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -90.55 9.87 27.72 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.682 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2082 ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' 2079 ' ' GLU . 5.3 ptp180 -124.36 162.76 23.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2083 ' ' LYS . . . . . 0.494 ' HG2' ' H ' ' A' 2084 ' ' GLN . 23.1 ttmm 63.79 -179.43 0.16 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.425 0.69 . . . . 0.0 109.532 178.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2084 ' ' GLN . . . . . 0.494 ' H ' ' HG2' ' A' 2083 ' ' LYS . 23.9 mp0 -92.45 103.28 15.72 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--N 1.302 -1.462 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.756 -178.333 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.237 0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 3.9 t0 68.15 114.63 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.037 1.735 . . . . 0.0 110.21 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' 2034 ' ' THR . 34.7 m -125.72 1.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -174.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 13.6 t70 60.9 22.24 12.39 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.388 1.089 . . . . 0.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 86.4 mt 68.87 -24.55 0.14 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.44 -16.17 49.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.024 -1.07 . . . . 0.0 113.503 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.565 ' HB ' ' HB ' ' A' 2030 ' ' VAL . 31.8 m -66.05 136.47 56.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' 2035 ' ' ARG . 5.9 mpt_? -87.61 123.27 32.3 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.404 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.5 mm -81.24 125.04 80.23 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.015 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.92 116.12 3.25 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.312 2.008 . . . . 0.0 111.566 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -112.69 142.04 26.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.449 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.412 ' HB ' HD13 ' A' 2046 ' ' LEU . 13.5 tt -126.33 137.69 56.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-O 121.303 0.573 . . . . 0.0 111.518 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -71.31 113.5 8.4 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.13 -15.55 61.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 50.1 t -85.53 -56.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.52 -59.43 2.32 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.745 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 127.8 -2.07 6.9 Favored Glycine 0 C--N 1.305 -1.192 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.585 -173.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 51.3 m -57.63 110.58 0.91 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.099 0.56 . . . . 0.0 111.121 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2046 ' ' LEU . . . . . 0.412 HD13 ' HB ' ' A' 2039 ' ' ILE . 58.2 tp -99.68 128.82 45.77 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.4 128.91 48.79 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 21.0 m -137.63 161.65 33.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.15 -125.74 27.58 Favored Glycine 0 N--CA 1.438 -1.206 0 O-C-N 123.673 0.608 . . . . 0.0 111.94 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.15 -2.85 58.92 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.732 0.777 . . . . 0.0 110.759 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.56 -11.2 37.97 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.938 0.875 . . . . 0.0 108.936 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -101.74 152.02 38.03 Favored Pre-proline 0 N--CA 1.427 -1.578 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -81.65 142.45 12.88 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 121.95 1.766 . . . . 0.0 112.125 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.99 141.75 53.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.417 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 16.6 tpt85 -51.44 -33.66 31.73 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -62.01 -40.23 94.97 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.177 0.591 . . . . 0.0 112.249 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -96.55 -21.28 17.77 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 2.9 tm? -54.78 -34.48 62.71 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.125 1.77 . . . . 0.0 112.41 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' 2063 ' ' GLN . 9.3 tp10 -59.66 -49.45 77.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.307 0.38 . . . . 0.0 109.976 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.38 -45.97 72.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.857 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -67.03 -44.3 80.61 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.271 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . 0.276 35.1 mt -67.58 -30.38 69.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 176.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' 2059 ' ' GLU . 29.6 mm-40 -54.83 -39.19 68.29 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -79.92 -33.34 33.66 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.522 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . 0.269 39.3 p-80 37.67 85.09 0.17 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 125.402 1.481 . . . . 0.0 114.45 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.39 -61.57 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.117 1.878 . . . . 0.0 112.255 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.96 24.56 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 122.442 1.115 . . . . 0.0 108.415 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.73 150.99 39.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.919 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.97 171.61 13.83 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 65.7 t -71.24 137.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.62 119.09 22.5 Favored Pre-proline 0 C--O 1.245 0.848 0 C-N-CA 123.771 0.828 . . . . 0.0 111.853 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.423 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 52.6 Cg_exo -58.0 -30.69 90.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 123.546 2.831 . . . . 0.0 112.812 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.23 77.2 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.0 t80 -62.79 -48.41 79.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.006 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' A' 2078 ' ' MET 0.267 4.3 pp -69.07 -23.4 64.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -73.48 -36.24 65.78 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.77 -35.99 79.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.436 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2078 ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' 2075 ' ' LEU . 28.0 ptm -57.14 -46.8 82.39 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -79.1 -29.51 43.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.27 -28.44 66.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.243 0.544 . . . . 0.0 110.655 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -70.23 98.89 1.43 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -150.27 165.48 32.87 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -169.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 130.26 42.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.921 0.328 . . . . 0.0 110.234 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -86.96 171.52 10.72 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.499 0.72 . . . . 0.0 109.232 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--N 1.321 -0.663 0 CA-C-O 121.456 0.646 . . . . 0.0 110.872 -178.674 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2028 ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' 2077 ' ' TYR . 15.8 tp . . . . . 0 N--CA 1.436 -1.146 0 CA-C-O 121.36 0.6 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.25 96.4 7.86 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 167.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.563 HG22 ' HB ' ' A' 2034 ' ' THR . 41.8 t -88.53 123.29 40.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 113.749 -1.568 . . . . 0.0 113.688 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -75.1 -53.11 9.43 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 169.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 3.6 pp 178.28 -14.9 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.091 -1.868 . . . . 0.0 114.381 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -87.45 -17.67 31.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.892 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.563 ' HB ' HG22 ' A' 2030 ' ' VAL . 23.9 m -79.85 149.89 30.83 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.529 -177.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.411 ' N ' ' HD2' ' A' 2035 ' ' ARG . 9.4 mpt_? -84.15 117.5 23.52 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.5 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.478 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 49.9 mm -82.85 122.35 78.08 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.766 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.553 ' HA ' ' O ' ' A' 2047 ' ' LEU . 29.2 Cg_endo -66.77 123.86 11.58 Favored 'Trans proline' 0 N--CA 1.437 -1.845 0 C-N-CA 121.547 1.498 . . . . 0.0 110.121 175.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2038 ' ' VAL . . . . . 0.409 HG11 HD21 ' A' 2058 ' ' LEU . 13.4 m -124.02 148.01 28.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.592 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' 2068 ' ' PHE . 15.1 tt -115.88 134.91 57.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.44 121.63 23.36 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 68.8 mttt -61.96 -38.96 90.46 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 123.774 0.671 . . . . 0.0 110.934 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 45.8 t -73.08 -56.58 9.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.878 -172.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.72 -42.58 12.53 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 109.18 3.5 31.32 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.188 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 5.7 m -57.39 117.15 3.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.609 0.764 . . . . 0.0 109.677 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 47.4 tp -107.16 121.49 44.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' 2037 ' ' PRO . 72.1 mt -98.26 116.67 30.96 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2048 ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' 2037 ' ' PRO . 35.9 m -129.88 163.17 36.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 O-C-N 123.326 0.392 . . . . 0.0 110.176 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.63 -101.42 0.4 Allowed Glycine 0 CA--C 1.516 0.155 0 O-C-N 123.755 0.659 . . . . 0.0 114.449 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.35 -14.0 22.85 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.054 0.454 . . . . 0.0 112.136 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.36 -10.4 32.74 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 111.162 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -90.1 143.56 29.98 Favored Pre-proline 0 C--N 1.3 -1.582 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 5.9 Cg_exo -83.06 149.24 13.58 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 122.264 1.976 . . . . 0.0 113.388 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.481 ' HB3' ' OE1' ' A' 2057 ' ' GLU . 37.2 ttm105 -64.74 131.08 45.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.647 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 79.9 ttt180 -49.68 -38.16 31.62 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.63 -26.43 63.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.478 0.711 . . . . 0.0 112.028 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2057 ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' 2054 ' ' ARG . 26.6 mt-10 -100.74 -38.04 8.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.226 1.012 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -48.33 -46.74 36.86 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 126.855 2.062 . . . . 0.0 113.381 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 2063 ' ' GLN . 8.0 pt-20 -61.04 -43.3 99.09 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.534 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 63.6 mtt -70.77 -36.42 73.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.37 0.605 . . . . 0.0 109.405 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.36 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.88 -33.2 74.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.794 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' 2059 ' ' GLU . 24.2 mm-40 -63.18 -27.81 69.62 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.23 -8.32 86.96 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.304 176.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 82.55 0.23 Allowed Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 125.33 1.452 . . . . 0.0 113.479 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -90.92 5.59 4.04 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.348 2.032 . . . . 0.0 111.085 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 72.15 35.33 1.27 Allowed 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 124.898 1.279 . . . . 0.0 111.772 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2068 ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' 2039 ' ' ILE . 38.1 m-85 -111.92 139.78 47.13 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.68 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -120.42 162.25 19.84 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 60.1 t -74.57 132.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.468 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 7.8 t70 -51.77 121.02 17.32 Favored Pre-proline 0 C--O 1.251 1.183 0 C-N-CA 123.656 0.783 . . . . 0.0 112.331 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.421 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 20.8 Cg_endo -62.73 -30.08 77.87 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.053 2.502 . . . . 0.0 112.001 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.468 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 11.4 ttp180 -63.29 -51.53 65.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.86 -52.53 56.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.105 0.962 . . . . 0.0 111.194 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' 2072 ' ' PRO . 4.4 pp -68.52 -29.78 68.44 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -74.81 -35.31 62.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.79 0.328 . . . . 0.0 110.993 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2077 ' ' TYR . . . . . 0.46 ' CD2' HD23 ' A' 2028 ' ' LEU . 68.6 t80 -68.99 -47.28 65.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.814 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 25.3 ttt -60.62 -28.64 68.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.661 0.743 . . . . 0.0 110.022 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.62 -30.47 65.82 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.918 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.48 -47.58 75.92 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -76.3 133.32 40.06 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -54.59 116.83 2.9 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 123.921 0.763 . . . . 0.0 112.922 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -69.74 -50.85 39.44 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -81.6 88.13 6.23 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.424 -1.763 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.764 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.78 -33.24 68.33 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.716 1.606 . . . . 0.0 113.553 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.488 ' CG1' ' HB ' ' A' 2034 ' ' THR . 92.6 t -66.32 -16.74 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 CA-C-O 122.09 0.948 . . . . 0.0 109.691 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.3 t70 61.41 5.58 1.21 Allowed 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 126.14 1.776 . . . . 0.0 112.824 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 58.0 mt 73.2 -15.13 0.56 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.967 1.707 . . . . 0.0 113.589 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.91 -17.19 28.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.132 0.491 . . . . 0.0 111.447 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.488 ' HB ' ' CG1' ' A' 2030 ' ' VAL . 20.7 m -71.5 132.3 44.53 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 53.1 mtt180 -79.65 111.92 16.41 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.145 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.54 116.84 66.07 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.005 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.421 ' HB3' HG12 ' A' 2048 ' ' VAL . 7.4 Cg_exo -72.66 124.63 9.91 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 C-N-CA 121.856 1.704 . . . . 0.0 109.293 174.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -114.97 144.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.533 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.422 ' HB ' HD13 ' A' 2046 ' ' LEU . 13.3 tt -123.37 128.43 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.097 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.25 127.49 33.1 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -64.32 -36.68 84.92 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 52.5 t -86.27 -59.05 2.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.307 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.35 -48.41 23.19 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 122.917 0.487 . . . . 0.0 111.823 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.56 10.8 28.34 Favored Glycine 0 C--N 1.306 -1.091 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2045 ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' 2039 ' ' ILE . 2.8 m -58.81 110.43 1.01 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.581 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2046 ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' 2039 ' ' ILE . 60.1 tp -106.74 121.6 44.7 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.334 0.588 . . . . 0.0 110.377 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 81.9 mt -107.37 115.44 30.17 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2048 ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' 2037 ' ' PRO . 31.0 m -124.56 153.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 55.54 -110.69 1.96 Allowed Glycine 0 C--O 1.224 -0.472 0 O-C-N 124.161 0.913 . . . . 0.0 114.571 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.03 -39.86 83.28 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 123.922 0.889 . . . . 0.0 112.442 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.68 1.65 57.15 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.382 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -102.9 122.69 44.79 Favored Pre-proline 0 N--CA 1.43 -1.425 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -73.51 154.8 50.4 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 121.617 1.545 . . . . 0.0 112.246 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 0.7 OUTLIER -65.24 146.85 54.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.837 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.546 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 22.6 tpt180 -49.21 -36.17 19.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.26 91.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.93 0.395 . . . . 0.0 111.211 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.18 -33.29 20.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.481 0.658 . . . . 0.0 110.392 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -61.04 -33.05 72.68 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 111.545 -177.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.71 -53.95 52.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.511 0.672 . . . . 0.0 110.401 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 96.9 mmm -66.7 -27.56 67.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.055 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 77.2 t90 -71.66 -48.52 47.11 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.556 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.24 -31.75 70.49 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 122.807 0.443 . . . . 0.0 111.383 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -55.83 -36.28 67.32 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.818 176.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -85.07 -24.38 44.82 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.912 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -142.59 86.38 9.77 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.966 0.413 . . . . 0.0 111.312 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -79.12 11.93 2.45 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 112.245 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.15 -1.2 57.21 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.702 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -104.55 136.1 44.72 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.089 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -112.59 172.84 6.68 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -86.77 140.8 15.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' 2072 ' ' PRO . 22.9 t70 -60.52 123.15 72.54 Favored Pre-proline 0 C--O 1.245 0.835 0 O-C-N 123.262 0.351 . . . . 0.0 111.582 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 29.7 Cg_exo -63.97 -24.12 67.44 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.15 2.567 . . . . 0.0 113.701 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -78.76 -32.71 46.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.21 -36.14 83.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.1 -42.03 94.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.961 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2076 ' ' ALA . . . . . 0.625 ' HA ' ' OE1' ' A' 2079 ' ' GLU . . . -64.21 -20.99 66.4 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 121.516 0.674 . . . . 0.0 111.736 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.17 -31.73 70.56 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.531 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2078 ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.5 mmt -69.76 -25.95 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2079 ' ' GLU . . . . . 0.625 ' OE1' ' HA ' ' A' 2076 ' ' ALA . 1.2 mp0 -66.29 -50.29 64.16 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.659 0.742 . . . . 0.0 109.766 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -49.5 73.31 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 113.726 -1.579 . . . . 0.0 108.408 177.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2081 ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' 2078 ' ' MET . 20.0 ttm180 63.41 -68.85 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 127.676 2.391 . . . . 0.0 113.63 174.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -133.87 85.87 2.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.743 0.782 . . . . 0.0 111.759 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -158.48 -51.3 0.06 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 68.59 109.82 0.05 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.159 1.384 . . . . 0.0 113.473 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 121.928 0.871 . . . . 0.0 109.017 176.909 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.44 -44.94 95.29 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.968 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' 2034 ' ' THR . 2.4 p -112.19 126.3 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.775 0 CA-C-N 113.007 -1.906 . . . . 0.0 107.298 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.03 -33.87 59.65 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.541 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' A' 2056 ' ' ALA . 3.2 pp -170.17 -20.17 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.25 11.2 1.0 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -172.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' 2030 ' ' VAL . 7.5 t -134.5 169.28 17.5 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -93.31 131.83 38.08 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.32 112.84 57.18 Favored Pre-proline 0 C--N 1.3 -1.555 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.56 ' HB3' HG12 ' A' 2048 ' ' VAL . 48.5 Cg_endo -70.4 120.76 7.39 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.504 1.469 . . . . 0.0 110.271 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.8 m -117.56 154.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.526 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.5 tt -127.67 131.52 69.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.1 129.67 40.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -69.58 -25.62 64.07 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 44.9 t -91.95 -48.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-O 121.052 0.453 . . . . 0.0 111.631 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -91.96 -33.06 15.01 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 94.64 15.2 47.36 Favored Glycine 0 C--N 1.305 -1.153 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.8 m -65.11 107.93 1.69 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 110.564 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2046 ' ' LEU . . . . . 0.842 HD11 HG13 ' A' 2048 ' ' VAL . 1.8 tm? -91.02 139.63 30.59 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' 2052 ' ' ALA . 76.5 mt -126.07 104.36 8.22 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.548 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2048 ' ' VAL . . . . . 0.842 HG13 HD11 ' A' 2046 ' ' LEU . 8.2 m -111.19 170.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 171.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.43 -132.91 44.95 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.351 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.77 -3.75 57.02 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.66 -24.04 45.4 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' 2047 ' ' LEU . . . -86.37 144.69 38.5 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.37 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.16 158.4 45.37 Favored 'Trans proline' 0 C--O 1.255 1.339 0 C-N-CA 122.166 1.911 . . . . 0.0 111.539 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -73.58 146.7 44.52 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.445 ' HA ' ' HB2' ' A' 2058 ' ' LEU . 10.0 tpt180 -59.4 -31.84 69.62 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 123.373 0.42 . . . . 0.0 110.794 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' 2032 ' ' LEU . . . -52.77 -36.86 58.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.197 0.599 . . . . 0.0 112.21 176.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -117.18 9.74 13.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.778 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -58.73 -57.4 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.854 0.462 . . . . 0.0 112.065 -173.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.94 -31.38 70.23 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.976 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 26.6 mmt -66.79 -35.55 80.35 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.641 0.734 . . . . 0.0 109.822 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 52.6 t90 -71.36 -46.33 60.72 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.026 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.81 -32.33 73.51 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.598 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.51 -29.79 68.12 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.733 0.813 . . . . 0.0 110.476 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -99.7 -16.11 29.77 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.562 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 5.6 t60 -151.84 87.65 4.34 Favored Pre-proline 0 C--N 1.31 -1.117 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -84.33 15.17 2.24 Favored 'Trans proline' 0 N--CA 1.481 0.75 0 C-N-CA 123.474 2.783 . . . . 0.0 113.667 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.14 6.76 27.75 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.935 0.398 . . . . 0.0 111.911 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.55 142.87 45.44 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.88 0.372 . . . . 0.0 111.018 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -117.52 167.32 11.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.1 p -83.77 143.26 12.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.14 129.77 88.73 Favored Pre-proline 0 C--O 1.245 0.841 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.001 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.56 -29.17 84.11 Favored 'Trans proline' 0 C--O 1.243 0.757 0 C-N-CA 123.299 2.666 . . . . 0.0 114.051 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.14 -21.3 43.31 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.001 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -71.31 -32.16 68.27 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 174.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' 2079 ' ' GLU . 92.3 mt -64.67 -36.17 83.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.263 174.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.73 85.88 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.145 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.928 0.491 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 1.6 tmt? -66.6 -38.02 86.13 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.346 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2079 ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' 2075 ' ' LEU . 35.5 mt-10 -73.14 -51.4 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.809 0.814 . . . . 0.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2080 ' ' ASP . . . . . 0.538 ' O ' ' HD3' ' A' 2083 ' ' LYS . 24.2 t70 -61.58 -32.37 72.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 114.179 -1.373 . . . . 0.0 112.331 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 70.56 -73.31 0.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.425 1.09 . . . . 0.0 108.809 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -170.7 22.77 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2083 ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' 2080 ' ' ASP . 1.1 mptm? -77.61 -70.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -172.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -147.78 118.1 7.37 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.631 0.729 . . . . 0.0 112.322 -171.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--N 1.316 -0.868 0 CA-C-O 121.819 0.818 . . . . 0.0 110.199 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -142.75 -45.82 0.31 Allowed 'General case' 0 C--N 1.309 -1.183 0 O-C-N 122.007 -0.433 . . . . 0.0 111.138 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 88.6 t -135.76 153.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.112 -1.811 . . . . 0.0 106.112 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.07 37.51 3.12 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.325 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 96.6 mt 68.05 -52.83 0.53 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 175.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.5 -10.43 59.55 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.37 0.605 . . . . 0.0 111.624 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 34.6 m -59.31 130.68 48.14 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 124.815 1.246 . . . . 0.0 110.015 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -85.84 95.51 9.46 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.46 HG13 ' HD3' ' A' 2055 ' ' ARG . 45.9 mm -74.56 122.95 88.66 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.095 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.428 ' HB3' HG12 ' A' 2048 ' ' VAL . 3.9 Cg_exo -68.15 139.87 47.67 Favored 'Trans proline' 0 C--O 1.245 0.863 0 C-N-CA 122.48 2.12 . . . . 0.0 111.947 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.7 m -126.12 154.49 35.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.206 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.446 HG12 ' N ' ' A' 2040 ' ' ASN . 11.8 tt -139.52 157.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2040 ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' 2067 ' ' GLU . 1.1 m120 -55.51 140.81 39.28 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 167.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2041 ' ' LYS . . . . . 0.519 ' HE3' ' HB2' ' A' 2069 ' ' ALA . 45.7 mttp -74.46 -13.4 60.7 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.991 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -76.55 -19.83 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 73.0 89.17 0.09 Allowed 'General case' 0 CA--C 1.458 -2.559 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.257 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -165.18 -67.44 0.02 OUTLIER Glycine 0 N--CA 1.401 -3.636 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 85.9 m -73.68 100.97 3.51 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.889 -0.655 . . . . 0.0 110.329 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 58.8 tp -97.68 138.73 34.63 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' 2052 ' ' ALA . 84.6 mt -122.61 123.12 40.44 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2048 ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' 2037 ' ' PRO . 35.4 m -131.26 161.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.41 -125.27 17.39 Favored Glycine 0 C--N 1.315 -0.624 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -88.12 -4.41 58.76 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.99 0.424 . . . . 0.0 111.764 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.63 -22.75 40.28 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' 2047 ' ' LEU . . . -99.71 149.09 35.6 Favored Pre-proline 0 N--CA 1.433 -1.278 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.21 174.19 11.69 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.283 1.989 . . . . 0.0 112.409 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -79.94 159.38 26.34 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 174.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.46 ' HD3' HG13 ' A' 2036 ' ' ILE . 8.8 tpt180 -61.13 -32.62 72.32 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.334 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -64.72 -22.24 66.94 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -102.95 -26.04 13.24 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -47.7 -51.4 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 126.64 1.976 . . . . 0.0 114.406 -169.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.24 -47.99 74.86 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.891 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 57.3 mtm -64.2 -39.84 94.82 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.998 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.66 -49.36 73.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.395 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.38 -33.7 76.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 120.775 0.321 . . . . 0.0 111.538 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -22.82 67.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.33 0.586 . . . . 0.0 110.897 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -106.3 8.92 41.77 Favored Glycine 0 N--CA 1.429 -1.806 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.014 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.3 m80 -142.53 82.55 12.61 Favored Pre-proline 0 C--N 1.318 -0.786 0 C-N-CA 122.729 0.412 . . . . 0.0 110.366 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -66.32 -22.54 52.81 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.258 1.972 . . . . 0.0 112.503 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.554 ' O ' ' HA ' ' A' 2040 ' ' ASN . 14.5 pt-20 -78.29 -4.87 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.534 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2068 ' ' PHE . . . . . 0.49 ' CD2' ' HG3' ' A' 2067 ' ' GLU . 69.2 m-85 -120.95 156.66 31.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.519 ' HB2' ' HE3' ' A' 2041 ' ' LYS . . . -153.61 165.98 34.22 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -62.95 141.1 18.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.79 122.82 68.21 Favored Pre-proline 0 C--O 1.243 0.747 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.61 -25.16 54.86 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 112.21 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -77.36 -38.21 50.64 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.95 -39.32 91.73 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.43 -50.77 72.5 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.54 80.88 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.857 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2077 ' ' TYR . . . . . 0.506 ' OH ' ' HG3' ' A' 2082 ' ' ARG . 40.3 t80 -65.73 -41.71 91.89 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.02 0.928 . . . . 0.0 111.041 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 74.2 mtm -65.86 -39.44 90.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.51 -31.39 53.46 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.082 0.468 . . . . 0.0 110.252 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2080 ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.9 t70 -59.82 -28.16 67.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.163 0.985 . . . . 0.0 109.825 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2081 ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' 2080 ' ' ASP . 68.5 mtm180 83.4 20.28 0.19 Allowed 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 124.937 1.295 . . . . 0.0 111.717 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2082 ' ' ARG . . . . . 0.506 ' HG3' ' OH ' ' A' 2077 ' ' TYR . 35.9 ttm180 74.33 -61.26 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.802 1.241 . . . . 0.0 112.561 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2083 ' ' LYS . . . . . 0.422 ' HE3' ' O ' ' A' 2080 ' ' ASP . 86.0 mttt 64.34 -75.91 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.871 1.268 . . . . 0.0 112.035 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -123.06 140.83 52.62 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.235 -175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2085 ' ' LYS . . . . . 0.427 ' O ' ' HD2' ' A' 2085 ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 CA-C-O 122.362 1.077 . . . . 0.0 111.709 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.426 -1.628 0 CA-C-O 122.094 0.95 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -60.85 -32.6 72.01 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.89 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.497 ' CG2' ' HG2' ' A' 2055 ' ' ARG . 15.5 m -146.96 176.93 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 174.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -85.71 21.83 1.77 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 120.994 0.426 . . . . 0.0 112.145 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 85.6 mt 70.84 -17.48 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -5.18 51.12 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 11.9 t -77.24 157.99 30.52 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 121.201 0.524 . . . . 0.0 110.669 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.09 102.74 15.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.76 121.7 82.18 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.561 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -67.93 116.62 4.4 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.062 1.841 . . . . 0.0 109.658 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.8 m -112.41 137.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2039 ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -120.65 129.95 75.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2040 ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 24.0 t-20 -69.9 129.55 39.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -73.4 -35.42 65.87 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2042 ' ' VAL . . . . . 0.415 HG12 ' OD1' ' A' 2040 ' ' ASN . 8.8 p -80.23 -48.65 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.674 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.98 -53.83 6.64 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.743 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 108.67 8.52 28.23 Favored Glycine 0 C--N 1.293 -1.81 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.554 -175.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2045 ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' 2039 ' ' ILE . 21.1 m -62.98 112.14 2.46 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.2 tp -100.26 115.66 30.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.93 127.84 37.55 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.7 m -129.58 156.24 41.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 74.5 -148.13 38.3 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.381 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -71.8 -8.02 51.74 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.433 0.635 . . . . 0.0 111.413 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.5 -18.27 49.08 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.851 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -95.94 146.68 31.73 Favored Pre-proline 0 N--CA 1.432 -1.369 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.87 143.35 79.43 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 121.874 1.716 . . . . 0.0 111.377 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -71.84 145.11 48.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.497 ' HG2' ' CG2' ' A' 2030 ' ' VAL . 49.2 tpt85 -49.15 -36.02 18.21 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -177.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.44 96.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.036 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.23 -45.7 17.54 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.04 -39.24 19.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.44 1.896 . . . . 0.0 111.575 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.61 -52.83 63.87 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2060 ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' 2063 ' ' GLN . 1.0 OUTLIER -75.1 -32.49 61.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 53.8 t90 -57.9 -56.37 22.85 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.021 1.328 . . . . 0.0 110.536 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.5 -33.12 59.31 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.727 0.642 . . . . 0.0 112.386 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' 2060 ' ' MET . 62.1 tt0 -58.36 -44.97 89.03 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.879 0.872 . . . . 0.0 112.277 -177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.65 -15.96 27.86 Favored Glycine 0 C--N 1.302 -1.346 0 C-N-CA 119.655 -1.259 . . . . 0.0 112.232 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 30.1 t60 -158.15 92.28 2.12 Favored Pre-proline 0 C--N 1.297 -1.688 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2066 ' ' PRO . . . . . 0.549 ' C ' ' H ' ' A' 2068 ' ' PHE . 12.6 Cg_endo -78.19 -80.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.404 -3.736 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 172.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 51.39 -35.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.052 2.541 . . . . 0.0 114.545 -173.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2068 ' ' PHE . . . . . 0.549 ' H ' ' C ' ' A' 2066 ' ' PRO . 31.3 m-85 -105.71 172.42 6.81 Favored 'General case' 0 C--N 1.247 -3.883 0 C-N-CA 127.713 2.405 . . . . 0.0 106.658 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -146.0 162.28 38.22 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 5.4 p -70.1 134.22 30.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.3 124.73 62.33 Favored Pre-proline 0 C--O 1.248 1.016 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.15 -22.81 53.67 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.699 2.266 . . . . 0.0 114.094 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.627 ' HD3' ' O ' ' A' 2073 ' ' ARG . 0.1 OUTLIER -81.49 -31.44 32.9 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.96 -38.82 92.6 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.125 0.488 . . . . 0.0 109.809 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.61 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.327 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.64 -38.85 91.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.348 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.78 -43.49 98.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.219 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.17 -33.12 50.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.79 -40.76 80.65 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.292 0.37 . . . . 0.0 110.13 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 60.95 -159.02 0.32 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -85.1 65.51 9.27 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.232 -0.987 . . . . 0.0 110.019 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 70.48 81.89 0.16 Allowed 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.868 1.267 . . . . 0.0 113.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -66.93 159.2 28.95 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.82 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.385 1.474 . . . . 0.0 110.663 -177.312 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 99.1 mt . . . . . 0 C--O 1.246 0.895 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -103.52 168.14 9.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2030 ' ' VAL . . . . . 0.432 ' CG2' ' HG2' ' A' 2055 ' ' ARG . 17.4 m -66.68 -27.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-O 121.227 0.537 . . . . 0.0 110.867 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 25.1 t70 51.94 26.28 3.59 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.073 1.349 . . . . 0.0 111.948 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 86.0 mt 70.21 -0.71 2.71 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.062 1.345 . . . . 0.0 114.454 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.4 ' HG2' ' NH2' ' A' 2054 ' ' ARG . 46.8 mt-10 -99.78 -17.76 17.54 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.757 0.708 . . . . 0.0 112.006 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.5 m -65.14 136.78 57.1 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' 2052 ' ' ALA . 14.1 mmt180 -82.79 102.56 11.66 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.469 HG13 ' HD3' ' A' 2055 ' ' ARG . 47.7 mm -72.54 116.36 48.8 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.659 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' 2047 ' ' LEU . 5.5 Cg_exo -70.32 118.82 5.9 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 121.918 1.745 . . . . 0.0 109.495 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -117.56 147.08 21.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.883 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.8 tt -124.06 133.8 68.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.98 124.59 24.44 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -67.96 -25.19 65.32 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 51.5 t -89.73 -58.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.91 -47.82 15.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.29 0.567 . . . . 0.0 111.974 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.63 12.37 22.99 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -174.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.8 m -65.45 113.0 3.82 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 57.0 tp -97.99 126.27 43.33 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' 2037 ' ' PRO . 79.5 mt -104.93 124.81 50.13 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 19.7 m -130.41 171.54 17.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 O-C-N 123.737 0.648 . . . . 0.0 109.558 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 57.64 -132.16 52.42 Favored Glycine 0 N--CA 1.446 -0.643 0 O-C-N 123.42 0.45 . . . . 0.0 112.505 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.4 5.75 43.78 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.48 -18.43 23.21 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.495 ' O ' ' HD2' ' A' 2035 ' ' ARG . . . -83.56 142.81 43.29 Favored Pre-proline 0 N--CA 1.417 -2.097 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 13.7 Cg_exo -69.86 146.0 58.25 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.229 1.953 . . . . 0.0 112.339 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.555 ' O ' ' HG2' ' A' 2057 ' ' GLU . 46.3 ttt180 -71.56 138.23 48.65 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 174.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.469 ' HD3' HG13 ' A' 2036 ' ' ILE . 20.6 tpt180 -49.41 -32.83 12.45 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 123.751 0.82 . . . . 0.0 113.0 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.401 ' H ' ' HG2' ' A' 2054 ' ' ARG . . . -61.98 -35.89 79.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2057 ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.0 pt-20 -94.92 -16.83 22.53 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.6 -40.17 74.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 111.338 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.17 -41.66 93.29 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.543 0.687 . . . . 0.0 111.051 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 61.5 mtt -75.21 -40.8 58.85 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.928 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 25.5 t90 -65.12 -48.46 73.54 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.366 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 39.8 mt -68.1 -34.41 76.33 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -70.06 -21.62 63.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.841 0.829 . . . . 0.0 109.343 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -78.4 -0.65 79.27 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.333 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 36.7 m80 61.97 76.52 0.39 Allowed Pre-proline 0 N--CA 1.466 0.363 0 C-N-CA 125.371 1.468 . . . . 0.0 113.1 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -95.74 -8.15 1.33 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.028 1.819 . . . . 0.0 112.159 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 69.83 28.68 4.26 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.254 1.421 . . . . 0.0 111.581 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.6 153.82 21.8 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.829 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -132.03 162.38 30.9 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -72.96 137.89 22.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 123.292 0.37 . . . . 0.0 110.965 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.4 t70 -62.94 128.25 91.86 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2072 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 32.3 Cg_exo -62.21 -24.26 76.05 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.541 2.828 . . . . 0.0 113.898 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.448 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 40.9 ttm180 -73.58 -38.03 65.3 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.87 -35.25 78.2 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.877 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' 2079 ' ' GLU . 86.3 mt -60.57 -44.1 96.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.0 85.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.426 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.54 -38.55 87.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.105 0.562 . . . . 0.0 110.983 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.58 -40.72 84.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2079 ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' 2082 ' ' ARG . 25.7 mm-40 -70.84 -31.11 67.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.162 0.506 . . . . 0.0 110.755 178.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.13 -29.35 60.58 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.763 0.825 . . . . 0.0 110.824 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -90.53 19.08 5.58 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.472 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2082 ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' 2079 ' ' GLU . 64.5 mtp180 -57.17 -51.08 70.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.657 0.741 . . . . 0.0 109.049 174.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -161.17 139.54 9.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -107.29 129.51 54.88 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 54.4 mtpt . . . . . 0 N--CA 1.419 -2.017 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.723 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.987 0.899 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.11 -164.45 2.02 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.21 -167.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-N 118.896 0.771 . . . . 0.0 110.852 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.23 21.58 5.06 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.534 -174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 83.4 mt 66.83 -44.87 0.45 Allowed 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.79 -12.57 59.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.259 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 9.1 m -61.01 126.91 29.09 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2035 ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 6.2 mpt_? -81.87 113.81 20.05 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2036 ' ' ILE . . . . . 0.446 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 37.0 mm -83.27 118.56 71.97 Favored Pre-proline 0 C--N 1.309 -1.195 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.13 138.78 74.64 Favored 'Trans proline' 0 C--O 1.247 0.975 0 C-N-CA 122.48 2.12 . . . . 0.0 112.104 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2038 ' ' VAL . . . . . 0.473 HG11 HD21 ' A' 2058 ' ' LEU . 15.9 m -131.04 152.73 38.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.226 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.9 tt -130.63 128.92 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.455 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2040 ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 26.7 t-20 -73.59 123.37 23.85 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -73.96 -21.35 60.05 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 42.6 t -85.91 -48.87 15.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.78 -37.32 11.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 97.06 27.06 9.69 Favored Glycine 0 C--N 1.296 -1.647 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2045 ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' 2040 ' ' ASN . 3.0 m -73.61 105.08 4.79 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.8 tp -98.21 124.43 42.78 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.094 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 84.4 mt -108.73 114.97 29.2 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 18.5 m -127.59 172.33 14.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 122.868 0.467 . . . . 0.0 109.816 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.68 -118.0 10.09 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.66 7.85 26.72 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.111 0.481 . . . . 0.0 110.346 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.46 -25.6 61.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2052 ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -91.92 144.09 28.74 Favored Pre-proline 0 N--CA 1.427 -1.616 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.751 178.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 14.6 Cg_exo -70.93 158.65 54.85 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.451 2.101 . . . . 0.0 112.518 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2054 ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 26.4 ptt180 -70.28 146.74 50.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 18.2 tpt180 -47.78 -41.06 22.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.913 1.685 . . . . 0.0 112.429 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.97 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.183 0.927 . . . . 0.0 111.513 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -93.94 -36.06 12.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.714 0.769 . . . . 0.0 110.36 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2058 ' ' LEU . . . . . 0.473 HD21 HG11 ' A' 2038 ' ' VAL . 3.2 tm? -54.7 -40.0 68.72 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.819 1.648 . . . . 0.0 112.944 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' 2063 ' ' GLN . 11.3 pt-20 -61.54 -44.35 97.2 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.867 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 50.7 ttm -71.89 -37.81 70.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.186 0.517 . . . . 0.0 109.672 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 68.7 t90 -60.1 -44.61 94.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.54 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.99 -38.81 92.19 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.642 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.9 mm100 -66.11 -28.53 68.88 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -69.59 -14.22 69.41 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.238 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 71.29 79.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 125.232 1.413 . . . . 0.0 112.038 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -93.83 6.23 2.72 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.411 2.074 . . . . 0.0 110.423 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 74.82 13.16 3.5 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.665 1.586 . . . . 0.0 111.088 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2068 ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' A' 2040 ' ' ASN . 34.2 m-85 -103.46 144.64 31.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.707 174.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -121.32 160.33 24.19 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 6.7 p -69.3 131.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 O-C-N 123.731 0.644 . . . . 0.0 109.862 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.49 117.87 23.77 Favored Pre-proline 0 C--O 1.243 0.741 0 O-C-N 123.7 0.625 . . . . 0.0 110.454 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.19 -16.22 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.643 2.228 . . . . 0.0 113.678 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -80.48 -33.59 36.51 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.324 0.583 . . . . 0.0 109.557 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 59.9 t80 -71.72 -32.02 67.34 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.513 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' 2079 ' ' GLU . 84.4 mt -58.98 -32.73 69.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.59 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.1 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.34 -32.66 66.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.215 0.531 . . . . 0.0 110.362 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.5 ttm -71.22 -31.94 68.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.793 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2079 ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' 2082 ' ' ARG . 44.7 mt-10 -77.35 -31.28 54.34 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.321 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.82 -45.86 85.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.075 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -82.78 78.52 9.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2082 ' ' ARG . . . . . 0.572 ' HB2' ' O ' ' A' 2079 ' ' GLU . 68.1 ttt180 -99.03 76.33 2.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.534 -174.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2083 ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' 2083 ' ' LYS . 11.3 mptt 50.44 67.17 0.96 Allowed 'General case' 0 C--O 1.243 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.828 177.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.67 166.74 32.59 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.741 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 50.0 tttm . . . . . 0 C--N 1.293 -1.879 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.492 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--O 1.238 0.459 0 CA-C-O 121.787 0.803 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 17.7 t70 -150.79 -171.71 4.0 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 6.4 p -91.19 16.16 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.445 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 72.46 12.51 5.57 Favored 'General case' 0 CA--C 1.498 -1.032 0 C-N-CA 126.722 2.009 . . . . 0.0 112.765 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2032 ' ' LEU . . . . . 0.492 ' C ' ' HG3' ' A' 2055 ' ' ARG . 89.0 mt 55.58 23.1 5.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 123.608 0.568 . . . . 0.0 111.914 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.24 -16.24 10.96 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.577 0.703 . . . . 0.0 110.767 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2034 ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' 2055 ' ' ARG . 27.9 m -101.83 122.41 43.93 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.285 -0.871 . . . . 0.0 108.922 -176.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -65.45 148.92 50.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 118.153 0.433 . . . . 0.0 110.6 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 38.8 mm -102.94 117.36 60.73 Favored Pre-proline 0 C--N 1.302 -1.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.913 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2037 ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' 2047 ' ' LEU . 3.5 Cg_exo -70.71 125.25 11.46 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.759 1.639 . . . . 0.0 109.804 175.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 31.3 m -117.82 148.95 20.29 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.417 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.7 tt -122.91 137.69 55.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.953 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.27 122.93 21.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.13 -28.48 67.92 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.1 t -98.98 -59.87 3.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-O 121.081 0.467 . . . . 0.0 111.869 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -79.12 -25.04 43.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -171.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 91.84 16.49 51.4 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 120.108 -1.044 . . . . 0.0 112.057 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -65.09 114.15 4.42 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.6 tp -108.52 119.6 40.0 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.169 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2047 ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' 2037 ' ' PRO . 68.5 mt -98.4 111.32 23.7 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.289 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.2 m -124.59 168.46 17.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.675 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.7 -139.84 32.28 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.365 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.74 -0.4 38.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.764 0.792 . . . . 0.0 111.902 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.57 -6.0 37.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.866 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -87.54 135.52 34.14 Favored Pre-proline 0 N--CA 1.424 -1.742 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -55.6 158.33 13.4 Favored 'Trans proline' 0 C--O 1.258 1.487 0 C-N-CA 124.069 3.179 . . . . 0.0 115.12 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -67.47 121.03 14.92 Favored 'General case' 0 N--CA 1.406 -2.625 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.419 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2055 ' ' ARG . . . . . 0.723 ' H ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -48.74 -47.42 41.48 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 125.218 1.407 . . . . 0.0 113.312 -176.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.79 -26.2 68.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -97.28 -19.34 18.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.666 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.64 -39.28 61.61 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 124.721 1.208 . . . . 0.0 112.055 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' 2063 ' ' GLN . 23.6 mt-10 -55.84 -55.19 35.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.683 0.754 . . . . 0.0 109.525 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 47.0 ttm -67.84 -37.66 82.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.31 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 21.9 t90 -60.47 -44.94 95.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.206 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 63.1 mt -67.77 -32.96 73.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.721 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.6 mm100 -63.69 -30.46 71.56 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.09 -28.01 65.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 25.0 t-80 64.57 87.18 0.12 Allowed Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.831 1.652 . . . . 0.0 112.519 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -98.11 25.44 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.948 3.099 . . . . 0.0 111.67 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 83.82 -8.9 1.02 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.549 1.939 . . . . 0.0 111.289 -177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.61 152.64 18.85 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.474 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -141.27 177.06 8.35 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 30.3 m -72.33 146.96 10.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 118.308 0.504 . . . . 0.0 110.785 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2071 ' ' ASP . . . . . 0.523 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 2.0 t70 -69.27 128.28 92.53 Favored Pre-proline 0 C--N 1.304 -1.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.218 177.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.79 -26.31 79.74 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.062 2.508 . . . . 0.0 113.0 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2073 ' ' ARG . . . . . 0.523 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 36.8 ttm180 -74.19 -32.99 63.29 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2074 ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' A' 2077 ' ' TYR . 67.2 t80 -69.6 -34.98 74.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.928 0.891 . . . . 0.0 110.106 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.62 -37.34 86.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.238 0.542 . . . . 0.0 110.113 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.86 70.45 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.711 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2077 ' ' TYR . . . . . 0.564 ' O ' ' HG2' ' A' 2081 ' ' ARG . 57.7 t80 -54.76 -48.22 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.331 0.653 . . . . 0.0 110.317 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.9 mtt -60.54 -55.73 29.85 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.822 0.344 . . . . 0.0 110.766 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -60.46 -38.14 83.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.032 -174.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.28 -45.59 38.93 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2081 ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' 2077 ' ' TYR . 20.2 mmt180 -72.83 -78.15 0.09 Allowed 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.083 -174.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -165.39 25.23 0.05 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 13.6 mptt -118.0 91.48 3.58 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.03 21.26 0.33 Allowed 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 35.4 mtmm . . . . . 0 C--O 1.236 0.347 0 C-N-CA 124.997 1.319 . . . . 0.0 111.153 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.47 -7.33 59.57 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 119.067 0.848 . . . . 0.0 111.883 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.9 t -68.45 161.98 26.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -100.54 118.07 35.97 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.561 HG13 ' HD3' ' A' 2055 ' ' ARG . 47.7 mm -89.01 119.3 69.8 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.923 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -66.75 126.51 15.48 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 121.839 1.692 . . . . 0.0 108.968 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.6 m -121.19 150.44 24.21 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.01 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.6 tt -130.12 136.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.583 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.47 115.91 17.61 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.79 -14.51 61.12 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 29.8 t -91.53 -56.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.67 -63.47 1.34 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.429 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 130.75 -15.59 5.42 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.226 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 90.7 m -50.4 119.54 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.88 0.472 . . . . 0.0 112.189 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.1 tp -104.51 126.58 51.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.01 127.84 54.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.5 m -132.52 165.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.261 0.351 . . . . 0.0 110.422 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.63 -137.49 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.72 1.41 55.19 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.364 0.602 . . . . 0.0 111.116 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 8.4 t0 -77.39 -33.0 55.23 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -83.64 142.73 42.99 Favored Pre-proline 0 N--CA 1.423 -1.778 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.514 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -69.28 164.6 33.44 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 123.308 2.672 . . . . 0.0 113.923 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -71.34 150.72 44.82 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.561 ' HD3' HG13 ' A' 2036 ' ' ILE . 13.7 tpt180 -62.36 -30.87 71.49 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-O 120.621 0.248 . . . . 0.0 111.125 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.05 96.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.657 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.81 -23.52 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.76 -42.85 26.59 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.964 1.705 . . . . 0.0 112.058 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' 2063 ' ' GLN . 10.3 tp10 -54.59 -53.93 48.04 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 123.687 0.617 . . . . 0.0 110.202 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 71.3 mtm -75.09 -32.65 61.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 44.3 t90 -62.14 -45.35 93.82 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.838 0.855 . . . . 0.0 110.359 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 61.3 mt -68.44 -32.78 73.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.662 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2059 ' ' GLU . 57.1 mt-30 -61.53 -34.01 74.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.779 0.323 . . . . 0.0 111.466 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.03 54.5 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.435 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -140.79 90.53 9.61 Favored Pre-proline 0 C--N 1.318 -0.764 0 C-N-CA 123.051 0.54 . . . . 0.0 110.617 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -68.7 -2.05 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.099 2.533 . . . . 0.0 112.321 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.0 -36.41 79.41 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.952 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.96 146.0 24.54 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.046 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -142.55 173.52 11.46 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 31.1 m -71.77 149.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 123.344 0.403 . . . . 0.0 109.993 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' 2072 ' ' PRO . 19.3 t70 -63.6 122.46 76.49 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.089 176.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 26.8 Cg_exo -62.48 -26.02 76.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.6 2.2 . . . . 0.0 112.959 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -74.46 -29.1 61.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.2 t80 -68.31 -32.79 73.18 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.96 -39.11 76.22 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.69 -30.55 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.485 0.659 . . . . 0.0 110.2 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -67.66 -33.89 75.83 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.93 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.773 175.521 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.96 -7.42 57.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.997 -0.44 . . . . 0.0 110.757 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.3 m -61.35 132.87 54.92 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.758 0.823 . . . . 0.0 108.874 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -84.72 107.33 16.85 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 40.2 mm -83.0 123.89 77.19 Favored Pre-proline 0 C--N 1.31 -1.138 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.83 137.89 51.12 Favored 'Trans proline' 0 C--O 1.244 0.777 0 C-N-CA 122.374 2.05 . . . . 0.0 111.964 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 27.7 m -130.72 162.12 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.382 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -136.58 137.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.039 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -81.15 117.17 21.47 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.94 -29.65 65.74 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 122.931 0.492 . . . . 0.0 111.546 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.2 t -76.18 -54.33 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.727 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.15 -54.43 5.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.016 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.61 -6.84 9.04 Favored Glycine 0 C--N 1.312 -0.781 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.528 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' 2039 ' ' ILE . 1.9 m -53.64 120.32 6.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.522 1.129 . . . . 0.0 111.327 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 53.9 tp -107.47 125.81 51.73 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' 2051 ' ' ASP . 38.3 mt -109.35 124.53 51.12 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 16.9 m -134.99 175.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 123.66 0.6 . . . . 0.0 110.066 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.511 -0.186 0 O-C-N 123.527 0.517 . . . . 0.0 112.7 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -99.23 -3.97 33.03 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.382 0.611 . . . . 0.0 110.67 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' 2047 ' ' LEU . 23.9 t70 -84.4 -26.12 28.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -73.98 150.35 88.03 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.639 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.21 136.62 22.44 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.813 2.342 . . . . 0.0 114.162 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.426 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 32.9 ttt180 -55.83 130.42 43.47 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 125.322 1.449 . . . . 0.0 107.821 173.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 24.8 tpt180 -48.28 -45.64 34.99 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.39 70.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 111.27 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 25.7 mm-40 -83.27 -41.03 18.79 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.1 tm? -47.91 -49.25 30.57 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.901 2.08 . . . . 0.0 113.688 -174.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.23 -34.81 78.87 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.816 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 69.7 mtm -74.8 -38.13 62.19 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.709 0.766 . . . . 0.0 109.041 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.7 t90 -62.78 -46.03 89.92 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 124.769 1.227 . . . . 0.0 111.713 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.77 -34.04 72.46 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.95 0.5 . . . . 0.0 111.856 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.9 -27.33 68.12 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.786 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.8 -1.29 58.72 Favored Glycine 0 C--N 1.307 -1.044 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.743 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.7 m80 -136.76 76.62 46.82 Favored Pre-proline 0 C--N 1.319 -0.718 0 O-C-N 122.704 -0.292 . . . . 0.0 110.787 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.17 -10.43 28.6 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.52 2.147 . . . . 0.0 112.132 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.33 -26.91 63.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.146 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -104.12 152.51 22.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -144.94 163.5 33.98 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 35.1 m -76.8 151.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-O 120.892 0.377 . . . . 0.0 111.21 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 12.1 t70 -61.97 125.15 84.51 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.978 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 16.9 Cg_exo -67.46 -18.34 49.24 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.049 2.499 . . . . 0.0 113.931 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.526 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 18.3 mtp180 -76.38 -38.53 55.59 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 86.0 t80 -64.03 -40.7 96.91 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.16 -39.05 81.26 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.158 176.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.44 85.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.217 0.532 . . . . 0.0 110.746 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.08 -35.68 74.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 111.086 174.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 C--N 1.311 -1.082 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 -177.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 78.8 mt . . . . . 0 C--O 1.244 0.802 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -96.13 -16.71 21.37 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 38.1 m -64.22 137.26 57.85 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 120.741 0.305 . . . . 0.0 110.705 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -82.35 121.41 26.66 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.519 ' O ' ' HB1' ' A' 2052 ' ' ALA . 45.9 mm -93.63 119.75 66.85 Favored Pre-proline 0 C--N 1.297 -1.691 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.538 ' HA ' ' O ' ' A' 2047 ' ' LEU . 11.8 Cg_exo -59.42 118.36 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.498 2.132 . . . . 0.0 110.563 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.3 m -113.25 142.69 24.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.46 ' CG1' ' HA2' ' A' 2044 ' ' GLY . 16.9 tt -116.13 143.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . 0.657 ' OD1' ' HB ' ' A' 2042 ' ' VAL . 1.6 t-20 -65.28 136.38 56.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.799 -0.62 . . . . 0.0 109.331 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . 0.464 ' HD3' ' C ' ' A' 2067 ' ' GLU . 1.9 mptm? -64.0 -36.14 82.99 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 170.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . 0.657 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 21.9 t -68.72 -60.53 2.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.559 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.07 67.52 0.25 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' A' 2039 ' ' ILE . . . 72.34 26.99 70.69 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 155.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' 2040 ' ' ASN . 16.7 m -74.71 104.11 5.24 Favored 'General case' 0 N--CA 1.399 -3.016 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.8 tp -97.58 119.83 36.84 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.231 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' 2037 ' ' PRO . 64.4 mt -102.55 129.12 49.0 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.8 m -130.55 169.12 21.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 68.41 -134.42 28.62 Favored Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.28 -12.8 57.81 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.176 0.512 . . . . 0.0 110.862 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.1 -32.58 69.23 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -85.11 147.5 47.93 Favored Pre-proline 0 N--CA 1.423 -1.794 0 CA-C-N 114.466 -1.243 . . . . 0.0 107.952 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.401 ' HG2' HD23 ' A' 2058 ' ' LEU . 94.3 Cg_endo -77.11 153.62 32.25 Favored 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.03 1.82 . . . . 0.0 113.55 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -68.58 138.28 54.97 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.504 ' HG2' ' CG1' ' A' 2036 ' ' ILE . 0.6 OUTLIER -50.53 -42.31 54.96 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 118.876 0.762 . . . . 0.0 112.357 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.8 67.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.341 0.4 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -91.28 -26.81 18.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.045 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.401 HD23 ' HG2' ' A' 2053 ' ' PRO . 2.8 tm? -47.73 -43.44 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.994 1.718 . . . . 0.0 112.956 -175.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' 2063 ' ' GLN . 11.0 pt-20 -63.3 -54.67 33.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 43.1 tpp -65.99 -30.44 71.0 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.603 0.716 . . . . 0.0 110.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . 0.418 ' O ' ' HD3' ' A' 2066 ' ' PRO . 32.1 t90 -63.76 -46.15 86.6 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.191 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.93 -35.84 77.28 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' 2059 ' ' GLU . 15.2 mm-40 -65.27 -28.75 69.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.935 0.494 . . . . 0.0 112.214 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -81.57 -2.73 90.63 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.922 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 74.4 m80 56.34 80.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 125.325 1.45 . . . . 0.0 113.446 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 2061 ' ' TRP . 62.0 Cg_endo -90.49 -0.93 5.29 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.755 2.304 . . . . 0.0 111.083 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.504 ' HA ' ' OE1' ' A' 2067 ' ' GLU . 5.6 mm-40 70.13 32.81 2.85 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 124.962 1.305 . . . . 0.0 112.977 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.36 148.77 51.31 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 113.125 -1.852 . . . . 0.0 107.094 173.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.02 169.69 17.36 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 75.4 t -67.47 136.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 25.0 t70 -58.02 124.83 71.81 Favored Pre-proline 0 C--O 1.24 0.597 0 C-N-CA 122.721 0.408 . . . . 0.0 110.263 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.9 -25.41 67.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.765 2.31 . . . . 0.0 112.879 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.451 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 16.0 ttp180 -72.78 -36.2 67.58 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.833 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -36.23 78.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -42.14 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.56 91.64 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.393 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.23 -40.26 85.33 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.374 1.07 . . . . 0.0 111.037 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.069 177.692 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.508 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 82.5 mt . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.396 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 55.1 m -73.08 135.27 44.78 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.368 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -71.18 111.1 6.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.155 0.582 . . . . 0.0 109.817 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.432 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 45.3 mm -87.1 117.83 69.16 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.894 172.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -68.97 133.72 27.76 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.099 1.866 . . . . 0.0 111.157 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 14.9 m -124.79 146.32 30.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.39 135.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -72.57 123.26 22.82 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.77 -23.66 64.34 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 123.357 0.663 . . . . 0.0 112.711 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.5 t -89.98 -59.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.457 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.22 -46.76 14.34 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.71 11.22 25.3 Favored Glycine 0 C--N 1.303 -1.284 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.003 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.2 m -62.7 114.01 3.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 59.9 tp -106.62 125.37 50.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 46.2 mt -104.28 117.55 34.47 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 28.3 m -126.53 158.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.99 -137.89 28.94 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.93 -5.61 54.16 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.088 0.47 . . . . 0.0 111.716 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.78 -23.43 42.17 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.96 0.886 . . . . 0.0 108.764 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.14 146.78 38.99 Favored Pre-proline 0 N--CA 1.428 -1.552 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 152.71 67.97 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.697 1.598 . . . . 0.0 111.834 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -69.94 147.61 49.98 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.609 ' O ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -58.36 -28.64 65.32 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -172.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.18 81.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.647 0.26 . . . . 0.0 111.152 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.66 -16.29 20.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -55.35 -43.56 75.14 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.516 1.126 . . . . 0.0 111.72 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' 2063 ' ' GLN . 35.3 mm-40 -55.19 -56.36 20.8 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.397 0.618 . . . . 0.0 109.804 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -45.28 86.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.702 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 74.0 t90 -58.15 -51.93 67.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.275 1.03 . . . . 0.0 110.352 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.27 -32.08 69.69 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' 2059 ' ' GLU . 25.2 mm-40 -63.79 -31.39 72.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.41 -15.07 39.15 Favored Glycine 0 C--N 1.313 -0.707 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.44 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -128.38 75.22 79.39 Favored Pre-proline 0 C--N 1.311 -1.069 0 O-C-N 122.063 -0.669 . . . . 0.0 109.481 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.83 -0.0 10.08 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.726 2.284 . . . . 0.0 112.825 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.5 -5.82 59.25 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.757 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -106.74 151.9 24.53 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -133.75 155.19 50.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 4.7 p -67.8 133.78 31.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.81 119.44 33.72 Favored Pre-proline 0 C--O 1.243 0.758 0 O-C-N 123.865 0.728 . . . . 0.0 111.289 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.4 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 43.6 Cg_endo -70.12 -16.98 36.19 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.183 2.588 . . . . 0.0 113.256 -176.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -83.81 -34.27 24.74 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.16 -52.84 52.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.573 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' 2078 ' ' MET . 4.1 pp -66.85 -24.67 66.17 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.31 -23.12 67.19 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.53 -40.72 83.74 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 122.393 0.277 . . . . 0.0 111.071 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' 2075 ' ' LEU . 27.1 ptm . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 96.0 mt . . . . . 0 CA--C 1.555 1.148 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.28 -17.16 40.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.124 0.875 . . . . 0.0 112.436 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 57.7 m -71.73 146.03 48.41 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -92.44 122.8 35.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.9 119.08 73.69 Favored Pre-proline 0 C--N 1.301 -1.519 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.444 ' HB3' HG12 ' A' 2048 ' ' VAL . 32.6 Cg_endo -67.48 121.79 8.93 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 122.005 1.803 . . . . 0.0 110.823 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -123.03 152.03 27.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.035 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' 2045 ' ' THR . 15.1 tt -133.23 137.3 53.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.416 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' 2067 ' ' GLU . 39.3 t-20 -69.6 110.48 4.85 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -64.17 -21.57 66.61 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 69.4 t -89.85 -51.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 CA-C-O 121.05 0.452 . . . . 0.0 110.107 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.43 -40.59 23.14 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 100.21 19.33 19.18 Favored Glycine 0 N--CA 1.433 -1.517 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.813 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' 2039 ' ' ILE . 17.8 m -76.21 100.36 5.02 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.4 tp -93.03 124.88 37.32 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 86.9 mt -109.53 116.91 32.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' 2037 ' ' PRO . 27.4 m -131.29 162.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.55 -126.12 32.25 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 123.768 0.668 . . . . 0.0 112.658 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.84 -4.24 58.87 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.485 0.66 . . . . 0.0 111.786 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.43 -10.23 54.67 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.521 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -107.13 145.85 32.0 Favored Pre-proline 0 N--CA 1.427 -1.598 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.41 167.7 20.86 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.089 1.86 . . . . 0.0 111.06 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -70.45 156.81 38.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' A' 2032 ' ' LEU . 12.9 tpt180 -55.62 -37.02 67.63 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.052 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -64.25 -19.96 65.73 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.404 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -106.52 -32.08 8.23 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.603 0.716 . . . . 0.0 109.593 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.39 -46.29 76.56 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.676 1.59 . . . . 0.0 114.355 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.08 -48.45 78.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.37 0.605 . . . . 0.0 111.156 -173.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.78 -32.59 69.75 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.418 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 91.5 t90 -64.89 -45.38 86.19 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.36 1.064 . . . . 0.0 110.551 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.69 -33.25 64.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.881 0.872 . . . . 0.0 112.581 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.98 -31.94 73.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 120.891 0.376 . . . . 0.0 110.971 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.16 -2.85 55.83 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.362 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 75.8 m80 -133.37 77.27 66.33 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.56 -14.5 27.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.054 2.502 . . . . 0.0 115.267 -172.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' 2040 ' ' ASN . 64.3 mm-40 -91.4 2.52 56.35 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.638 -0.825 . . . . 0.0 112.528 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -99.98 124.99 45.94 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.229 0.538 . . . . 0.0 110.7 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -122.29 160.52 25.12 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 9.2 p -68.2 140.03 19.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 123.481 0.488 . . . . 0.0 111.606 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.443 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.5 t70 -63.53 133.78 95.63 Favored Pre-proline 0 C--O 1.246 0.914 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.8 178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.79 -23.1 42.15 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.211 2.607 . . . . 0.0 113.912 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.443 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 10.3 ttm180 -75.86 -37.58 58.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 79.5 t80 -64.13 -35.67 81.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.875 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.24 -33.34 75.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.447 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.2 -40.07 86.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -63.73 -32.36 73.82 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.975 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 C--N 1.319 -0.736 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.467 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -15.9 59.85 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.903 0.858 . . . . 0.0 110.121 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.1 m -65.6 116.44 6.85 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 113.836 -1.529 . . . . 0.0 111.301 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.629 ' H ' ' HD2' ' A' 2035 ' ' ARG . 0.0 OUTLIER -62.71 105.54 0.67 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.811 175.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.5 mm -76.61 120.41 81.54 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.036 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.34 133.34 32.27 Favored 'Trans proline' 0 C--O 1.25 1.108 0 C-N-CA 122.112 1.875 . . . . 0.0 111.066 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 24.5 m -125.44 154.55 34.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.053 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 13.1 tt -130.68 131.82 64.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 120.928 0.394 . . . . 0.0 110.07 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -78.35 117.3 19.45 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.08 -25.46 66.24 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -84.41 -59.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.251 0.548 . . . . 0.0 109.87 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.85 -35.45 62.36 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.671 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 96.28 -1.52 62.6 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 21.1 m -64.4 109.02 1.79 Allowed 'General case' 0 N--CA 1.428 -1.525 0 C-N-CA 123.746 0.819 . . . . 0.0 111.436 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.7 tp -95.99 127.22 41.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 89.6 mt -110.18 115.77 30.32 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.3 m -124.82 163.28 25.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 71.56 -151.91 48.67 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -85.21 17.26 3.11 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.41 -17.39 27.29 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -93.01 152.28 41.27 Favored Pre-proline 0 N--CA 1.438 -1.048 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.552 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.0 154.95 47.96 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.46 2.107 . . . . 0.0 113.003 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 74.9 mtt85 -71.84 151.2 43.62 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -57.31 -33.96 68.22 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 122.505 0.322 . . . . 0.0 111.257 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.96 76.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.766 0.317 . . . . 0.0 111.789 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.23 -4.49 25.65 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.43 -52.02 64.98 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.456 1.102 . . . . 0.0 112.017 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.78 -36.44 74.42 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 25.2 ttt -74.22 -41.23 61.69 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.445 0.641 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 65.2 t90 -68.46 -49.49 59.42 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.971 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.33 -32.25 72.13 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.24 -37.14 71.83 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.99 9.11 57.96 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.952 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.5 m80 -143.95 63.93 12.3 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 123.237 0.615 . . . . 0.0 110.113 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.47 -4.55 15.16 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.098 1.865 . . . . 0.0 113.46 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -86.37 -13.96 44.87 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -97.76 140.35 32.27 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.598 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.17 173.24 11.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.4 p -70.28 137.0 24.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.448 0.467 . . . . 0.0 111.207 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.469 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.7 t70 -56.7 123.73 59.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.06 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.14 -30.11 90.63 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 123.198 2.599 . . . . 0.0 112.31 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.469 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 45.4 ttt180 -68.06 -41.04 82.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.04 -36.26 82.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.2 -40.48 94.12 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.758 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.04 70.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.557 0.343 . . . . 0.0 111.156 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.07 -46.64 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.32 0.581 . . . . 0.0 109.643 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.502 -179.723 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.403 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 84.3 mt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.86 -16.5 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 13.9 t -68.37 156.87 36.93 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.233 0.539 . . . . 0.0 109.679 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -103.62 106.67 17.25 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.27 115.39 40.53 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.431 ' HG2' ' HB2' ' A' 2074 ' ' PHE . 45.0 Cg_endo -68.57 133.48 27.98 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 121.952 1.768 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -127.97 152.43 36.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.046 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.23 136.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -73.31 118.13 15.89 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -67.92 -19.77 65.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 61.5 t -88.72 -59.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.228 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.17 -44.73 29.14 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.368 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.34 5.18 37.48 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.299 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 80.7 m -58.39 115.19 2.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . 0.446 ' HG ' HG13 ' A' 2048 ' ' VAL . 67.3 tp -106.65 126.41 52.24 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.429 HD22 ' OD2' ' A' 2051 ' ' ASP . 54.6 mt -107.76 115.62 30.48 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . 0.446 HG13 ' HG ' ' A' 2046 ' ' LEU . 20.4 m -131.9 168.19 24.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 73.32 -134.09 19.04 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' 2050 ' ' GLU . 0.1 OUTLIER -85.77 -11.82 52.55 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.419 0.628 . . . . 0.0 111.021 -178.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . 0.429 ' OD2' HD22 ' A' 2047 ' ' LEU . 2.8 t70 -77.21 -25.91 52.21 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.294 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -74.03 140.75 77.36 Favored Pre-proline 0 N--CA 1.427 -1.605 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.445 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.94 144.86 89.14 Favored 'Trans proline' 0 C--O 1.24 0.608 0 C-N-CA 122.792 2.328 . . . . 0.0 113.311 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.495 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 9.8 ttm180 -64.03 138.96 58.71 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -52.87 -38.33 61.45 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -62.68 -26.05 68.46 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 12.9 pt-20 -111.41 -6.9 14.41 Favored 'General case' 0 C--O 1.208 -1.098 0 O-C-N 122.3 -0.25 . . . . 0.0 110.809 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.1 -47.38 61.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.108 1.363 . . . . 0.0 110.878 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.84 -44.27 90.93 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.395 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . 0.513 ' O ' ' HB3' ' A' 2063 ' ' GLN . 65.0 mtt -75.42 -30.73 60.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.495 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.8 t90 -69.7 -45.47 68.17 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.136 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.15 -32.25 71.97 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.073 0.549 . . . . 0.0 111.169 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' 2060 ' ' MET . 34.1 tt0 -55.18 -32.88 62.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.496 0.718 . . . . 0.0 110.257 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -104.46 -3.9 43.7 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.06 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.0 m80 -140.62 78.83 20.69 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.29 7.81 4.75 Favored 'Trans proline' 0 C--O 1.219 -0.471 0 C-N-CA 122.991 2.461 . . . . 0.0 113.229 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -101.03 4.73 42.61 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.46 0.648 . . . . 0.0 110.093 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -114.46 149.91 35.59 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.481 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -139.78 168.01 20.8 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.0 p -64.44 138.81 22.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 O-C-N 123.463 0.477 . . . . 0.0 110.844 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.465 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 21.1 t0 -62.16 120.89 62.17 Favored Pre-proline 0 C--O 1.244 0.767 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.124 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.55 -22.7 67.88 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.554 2.836 . . . . 0.0 112.427 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.465 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 31.1 mtp-105 -72.08 -33.57 68.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 0.0 109.809 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . 0.431 ' HB2' ' HG2' ' A' 2037 ' ' PRO . 86.5 t80 -71.59 -33.06 68.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.05 -33.42 73.57 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.14 70.57 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.931 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 49.7 t80 -66.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 110.004 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 C--N 1.315 -0.922 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.474 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.505 ' HA ' ' HB2' ' A' 2054 ' ' ARG . 32.3 mt-10 -91.84 7.08 43.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.419 -0.8 . . . . 0.0 111.726 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 22.5 m -66.61 129.8 41.07 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' 2052 ' ' ALA . 53.3 mtt180 -84.04 102.68 12.68 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 120.743 0.306 . . . . 0.0 110.283 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.535 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.1 mm -73.89 128.4 86.7 Favored Pre-proline 0 C--N 1.311 -1.083 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -66.06 128.72 20.2 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 121.937 1.758 . . . . 0.0 110.701 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.6 m -123.82 143.09 38.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.712 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' 2068 ' ' PHE . 10.8 tt -121.51 136.84 57.12 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -78.24 114.68 17.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 173.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 33.5 t -85.32 -51.37 13.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.9 -59.71 2.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.699 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 124.22 -12.33 8.05 Favored Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.073 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 93.6 m -62.96 122.34 15.79 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 117.184 0.492 . . . . 0.0 111.689 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.4 tp -96.42 126.88 41.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' 2051 ' ' ASP . 48.5 mt -98.29 110.83 23.34 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.021 0.439 . . . . 0.0 109.981 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 17.4 m -129.26 175.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 71.88 -123.52 9.8 Favored Glycine 0 C--N 1.3 -1.435 0 C-N-CA 120.093 -1.051 . . . . 0.0 111.178 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -98.49 -1.44 41.26 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.615 0.721 . . . . 0.0 110.228 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . 0.446 ' HB3' HD22 ' A' 2047 ' ' LEU . 3.8 m-20 -80.65 -28.09 36.97 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.213 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.485 ' O ' ' HD3' ' A' 2035 ' ' ARG . . . -82.46 134.76 47.62 Favored Pre-proline 0 C--N 1.299 -1.595 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.502 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -81.02 162.1 20.66 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 122.481 2.121 . . . . 0.0 112.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.505 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 38.0 ptt180 -74.88 146.41 41.91 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.535 ' HD3' HG13 ' A' 2036 ' ' ILE . 16.1 tpt180 -49.72 -37.41 29.17 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 124.428 1.091 . . . . 0.0 112.148 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 122.984 0.513 . . . . 0.0 112.041 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.83 -21.37 18.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.13 -46.09 33.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.075 1.75 . . . . 0.0 112.906 -174.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' 2063 ' ' GLN . 11.5 mm-40 -54.5 -57.5 11.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.222 0.534 . . . . 0.0 111.509 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 67.2 mtt -67.93 -35.87 79.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.395 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.5 t90 -64.92 -41.92 95.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.909 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.22 -32.65 74.31 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 2059 ' ' GLU . 51.5 mt-30 -64.32 -37.46 87.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.223 0.535 . . . . 0.0 109.894 176.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.82 -14.57 82.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 115.674 -0.693 . . . . 0.0 113.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -139.06 86.24 15.11 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 122.821 0.448 . . . . 0.0 110.831 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -69.82 -8.94 24.86 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.379 2.052 . . . . 0.0 111.434 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.01 -41.79 97.36 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.346 1.058 . . . . 0.0 108.986 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' 2039 ' ' ILE . 77.1 m-85 -95.68 142.87 27.48 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.568 -175.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.21 168.63 19.35 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -63.87 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 O-C-N 123.551 0.532 . . . . 0.0 109.757 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.4 t70 -58.4 120.3 43.2 Favored Pre-proline 0 C--O 1.247 0.932 0 O-C-N 123.711 0.632 . . . . 0.0 112.396 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 24.2 Cg_exo -64.06 -21.94 67.95 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.161 2.574 . . . . 0.0 112.624 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.573 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 55.3 ttt180 -70.57 -51.41 28.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.7 t80 -52.92 -43.86 66.56 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 123.671 0.788 . . . . 0.0 110.878 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.71 -50.44 73.88 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.929 0.395 . . . . 0.0 111.364 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.89 76.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.936 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -69.92 -44.46 69.6 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.515 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 55.6 ttp . . . . . 0 C--O 1.242 0.692 0 C-N-CA 123.214 0.605 . . . . 0.0 111.571 -177.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.31 -9.88 59.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.588 0.708 . . . . 0.0 110.377 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.77 147.84 52.72 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.66 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 2049 ' ' GLY . 0.0 OUTLIER -103.24 124.09 47.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.471 178.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.497 HG13 ' HD3' ' A' 2055 ' ' ARG . 51.4 mm -87.87 128.5 53.92 Favored Pre-proline 0 C--N 1.296 -1.757 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.09 124.61 12.85 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 122.058 1.838 . . . . 0.0 110.409 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 26.6 m -118.69 150.55 20.93 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.3 tt -132.68 136.13 56.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-O 121.132 0.492 . . . . 0.0 110.893 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -79.23 120.26 23.47 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.68 -30.14 64.0 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.97 0.414 . . . . 0.0 111.913 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 43.9 t -78.0 -54.01 13.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.9 -34.42 22.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 92.56 12.43 58.28 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 8.6 m -70.95 113.52 8.08 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 114.967 -0.617 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.8 tp -100.6 123.25 44.56 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.22 114.59 28.87 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 30.3 m -126.93 168.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.841 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . 0.536 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 73.64 -147.99 39.49 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.65 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.75 8.37 20.11 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.053 0.454 . . . . 0.0 111.696 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.14 -12.5 26.32 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.952 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.88 150.39 45.49 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.856 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.07 143.06 58.35 Favored 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.359 2.039 . . . . 0.0 112.696 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' 2057 ' ' GLU . 79.0 ttt180 -69.8 140.1 53.28 Favored 'General case' 0 N--CA 1.427 -1.598 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.497 ' HD3' HG13 ' A' 2036 ' ' ILE . 12.5 tpt180 -54.77 -32.52 60.12 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.56 0.618 . . . . 0.0 112.506 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.9 -28.97 69.3 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' 2054 ' ' ARG . 15.1 pt-20 -104.92 -7.38 19.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.904 -0.497 . . . . 0.0 110.173 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -52.41 -45.57 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 113.393 -170.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.32 -52.59 57.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.49 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 13.3 mmt -63.68 -33.17 75.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.944 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.58 -50.93 65.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.682 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.47 -32.99 71.94 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.26 -31.13 71.66 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.901 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -94.2 -11.14 57.75 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -128.51 79.78 73.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -69.88 -21.1 33.41 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 113.069 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.25 -17.51 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.662 0.744 . . . . 0.0 109.448 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -99.79 153.09 19.4 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.117 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -148.25 171.85 15.3 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 3.2 p -75.6 141.99 15.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.578 ' OD1' ' HB3' ' A' 2073 ' ' ARG . 12.2 t70 -51.29 118.1 10.21 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 110.559 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -65.26 -26.61 56.44 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.885 2.39 . . . . 0.0 112.631 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.578 ' HB3' ' OD1' ' A' 2071 ' ' ASP . 10.6 ttp180 -72.12 -39.7 68.66 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.983 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' 2077 ' ' TYR . 69.9 t80 -66.24 -32.17 73.43 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.2 -38.71 88.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.389 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -68.92 -35.64 77.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.722 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' 2074 ' ' PHE . 56.2 t80 -55.93 -35.49 66.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.08 0.952 . . . . 0.0 110.385 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.473 0.684 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.729 178.673 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' 2055 ' ' ARG . 82.0 mt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.33 12.54 5.27 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -172.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.2 t -117.63 173.74 6.56 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -111.13 119.4 38.87 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' 2055 ' ' ARG . 50.4 mm -94.46 125.58 51.34 Favored Pre-proline 0 C--N 1.306 -1.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.856 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.28 135.62 43.88 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.926 1.751 . . . . 0.0 110.883 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 18.4 m -125.89 157.52 35.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.871 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -131.78 137.11 55.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -80.29 118.2 21.74 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -74.13 -21.78 59.73 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 47.4 t -87.25 -50.9 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -83.92 -58.06 2.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 0.0 111.479 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.55 -6.2 9.16 Favored Glycine 0 C--N 1.306 -1.085 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.829 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -53.25 119.0 4.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.375 0.67 . . . . 0.0 110.659 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.06 122.76 45.95 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' 2051 ' ' ASP . 86.7 mt -104.88 118.22 35.99 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.0 m -129.71 157.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.95 -119.39 6.81 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.43 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -89.67 -9.65 48.76 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 121.462 0.648 . . . . 0.0 110.797 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . 0.409 ' HB3' HD22 ' A' 2047 ' ' LEU . 16.2 m-20 -82.08 -18.2 43.91 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.272 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -95.98 131.2 29.48 Favored Pre-proline 0 N--CA 1.416 -2.131 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.257 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 16.8 Cg_exo -68.61 161.23 46.09 Favored 'Trans proline' 0 C--O 1.251 1.158 0 C-N-CA 122.472 2.115 . . . . 0.0 113.856 -177.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' 2057 ' ' GLU . 23.2 tpp180 -65.37 137.77 57.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.169 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.487 HH12 ' HB2' ' A' 2059 ' ' GLU . 40.4 tpt85 -58.02 -32.56 68.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.352 0.523 . . . . 0.0 111.531 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.468 ' H ' ' HG3' ' A' 2054 ' ' ARG . . . -62.6 -29.06 70.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 111.841 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.3 pt-20 -103.87 -12.2 17.04 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.356 0.598 . . . . 0.0 110.775 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.58 -41.89 95.97 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -167.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.487 ' HB2' HH12 ' A' 2055 ' ' ARG . 39.7 tt0 -64.22 -51.38 63.96 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.085 0.469 . . . . 0.0 111.121 -171.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 1.7 mpt? -64.92 -27.94 69.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.144 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 73.7 t90 -70.24 -48.59 56.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.019 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.2 -35.71 81.69 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.161 0.505 . . . . 0.0 111.209 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -64.15 -32.08 73.51 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 123.756 0.822 . . . . 0.0 110.703 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.46 3.84 61.63 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.514 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 66.7 m80 -144.68 84.09 9.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.42 -9.66 26.8 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.758 2.306 . . . . 0.0 112.902 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.85 -29.91 66.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -102.76 140.22 37.31 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.66 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -138.98 164.79 28.81 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.5 p -64.18 140.55 19.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 O-C-N 123.548 0.53 . . . . 0.0 110.315 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.51 118.33 21.72 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 123.05 0.54 . . . . 0.0 111.847 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.58 -20.53 40.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.979 2.453 . . . . 0.0 112.069 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.408 ' HE ' ' HB3' ' A' 2073 ' ' ARG . 27.1 ttp180 -70.58 -42.31 71.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 91.4 t80 -65.66 -43.41 89.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.172 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.83 -45.66 89.49 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.891 0.377 . . . . 0.0 110.706 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.24 95.98 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.273 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -61.66 -37.13 82.93 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.438 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 120.859 0.362 . . . . 0.0 110.295 178.368 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.61 -17.24 27.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 18.6 m -69.08 140.64 54.84 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.832 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' 2035 ' ' ARG . 0.8 OUTLIER -86.05 110.1 19.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.479 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.548 HG13 ' HD3' ' A' 2055 ' ' ARG . 48.7 mm -78.39 122.69 85.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.36 131.92 31.79 Favored 'Trans proline' 0 C--O 1.25 1.092 0 C-N-CA 122.541 2.161 . . . . 0.0 111.426 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.7 m -128.35 152.35 36.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.484 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' 2040 ' ' ASN . 11.7 tt -132.26 156.86 42.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . 0.451 ' N ' HG12 ' A' 2039 ' ' ILE . 1.1 m120 -51.45 142.57 13.48 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.537 0.735 . . . . 0.0 112.507 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' 2066 ' ' PRO . 7.5 mmmm -71.23 -17.11 62.51 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.78 170.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 32.1 t -86.06 -20.92 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 75.78 90.46 0.08 Allowed 'General case' 0 CA--C 1.466 -2.258 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.628 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -171.9 -69.32 0.04 OUTLIER Glycine 0 N--CA 1.404 -3.469 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.404 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . 0.407 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 84.3 m -73.24 107.09 5.37 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.987 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 61.6 tp -105.18 130.35 53.36 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.39 109.59 18.56 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 27.7 m -119.45 164.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.0 -132.45 19.35 Favored Glycine 0 N--CA 1.421 -2.308 0 C-N-CA 120.498 -0.858 . . . . 0.0 110.962 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.42 5.34 51.92 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.374 0.607 . . . . 0.0 110.846 -174.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -81.67 -28.49 33.53 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -84.18 152.29 61.39 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.555 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.65 159.76 12.36 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.669 2.246 . . . . 0.0 113.58 -176.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' 2057 ' ' GLU . 67.5 mtm180 -64.35 141.21 58.85 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.548 ' HD3' HG13 ' A' 2036 ' ' ILE . 46.2 tpt85 -49.23 -36.23 19.53 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.213 1.005 . . . . 0.0 113.364 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.83 78.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 2054 ' ' ARG . 16.1 pt-20 -86.38 -23.58 26.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 109.935 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.23 -42.52 40.81 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.451 1.901 . . . . 0.0 112.442 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.83 -46.44 85.03 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.001 0.905 . . . . 0.0 109.767 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.84 -36.15 75.34 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.737 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.0 t90 -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.255 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.17 -32.99 74.77 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.55 0.34 . . . . 0.0 111.377 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.26 -46.43 90.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.78 -20.22 79.58 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.102 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 69.2 m80 -136.18 81.22 38.76 Favored Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 117.226 0.513 . . . . 0.0 110.361 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . 0.426 ' O ' ' HG3' ' A' 2041 ' ' LYS . 57.3 Cg_endo -74.88 3.37 5.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.93 2.42 . . . . 0.0 113.189 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.64 8.66 30.33 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.145 0.498 . . . . 0.0 110.43 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.03 152.98 47.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.468 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.415 ' HB2' ' HD3' ' A' 2041 ' ' LYS . . . -150.1 168.44 23.91 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.97 142.38 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.657 0.598 . . . . 0.0 111.727 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 10.7 t70 -64.08 128.83 93.52 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.608 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 32.5 Cg_exo -61.34 -30.16 87.12 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.237 2.625 . . . . 0.0 113.574 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.455 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 70.4 ttt180 -68.9 -43.94 74.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 92.1 t80 -55.89 -48.24 75.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.131 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' A' 2072 ' ' PRO . 4.1 pp -73.01 -24.91 60.81 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.04 -32.17 73.63 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.004 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -69.3 -32.2 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.742 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.109 175.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 86.4 mt . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.44 -16.17 49.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.024 -1.07 . . . . 0.0 113.503 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 31.8 m -66.05 136.47 56.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' 2035 ' ' ARG . 5.9 mpt_? -87.61 123.27 32.3 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.404 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.5 mm -81.24 125.04 80.23 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.015 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.92 116.12 3.25 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.312 2.008 . . . . 0.0 111.566 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -112.69 142.04 26.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.449 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.412 ' HB ' HD13 ' A' 2046 ' ' LEU . 13.5 tt -126.33 137.69 56.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-O 121.303 0.573 . . . . 0.0 111.518 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -71.31 113.5 8.4 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.13 -15.55 61.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 50.1 t -85.53 -56.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.52 -59.43 2.32 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.745 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 127.8 -2.07 6.9 Favored Glycine 0 C--N 1.305 -1.192 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.585 -173.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 51.3 m -57.63 110.58 0.91 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.099 0.56 . . . . 0.0 111.121 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . 0.412 HD13 ' HB ' ' A' 2039 ' ' ILE . 58.2 tp -99.68 128.82 45.77 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.4 128.91 48.79 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 21.0 m -137.63 161.65 33.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.15 -125.74 27.58 Favored Glycine 0 N--CA 1.438 -1.206 0 O-C-N 123.673 0.608 . . . . 0.0 111.94 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.15 -2.85 58.92 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.732 0.777 . . . . 0.0 110.759 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.56 -11.2 37.97 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.938 0.875 . . . . 0.0 108.936 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -101.74 152.02 38.03 Favored Pre-proline 0 N--CA 1.427 -1.578 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -81.65 142.45 12.88 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 121.95 1.766 . . . . 0.0 112.125 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.99 141.75 53.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.417 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 16.6 tpt85 -51.44 -33.66 31.73 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -62.01 -40.23 94.97 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.177 0.591 . . . . 0.0 112.249 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -96.55 -21.28 17.77 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 2.9 tm? -54.78 -34.48 62.71 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.125 1.77 . . . . 0.0 112.41 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' 2063 ' ' GLN . 9.3 tp10 -59.66 -49.45 77.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.307 0.38 . . . . 0.0 109.976 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.38 -45.97 72.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.857 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -67.03 -44.3 80.61 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.271 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . 0.276 35.1 mt -67.58 -30.38 69.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 176.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' 2059 ' ' GLU . 29.6 mm-40 -54.83 -39.19 68.29 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -79.92 -33.34 33.66 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.522 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . 0.269 39.3 p-80 37.67 85.09 0.17 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 125.402 1.481 . . . . 0.0 114.45 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.39 -61.57 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.117 1.878 . . . . 0.0 112.255 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.96 24.56 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 122.442 1.115 . . . . 0.0 108.415 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.73 150.99 39.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.919 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.97 171.61 13.83 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 65.7 t -71.24 137.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.62 119.09 22.5 Favored Pre-proline 0 C--O 1.245 0.848 0 C-N-CA 123.771 0.828 . . . . 0.0 111.853 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.423 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 52.6 Cg_exo -58.0 -30.69 90.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 123.546 2.831 . . . . 0.0 112.812 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.23 77.2 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.0 t80 -62.79 -48.41 79.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.006 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' A' 2078 ' ' MET 0.267 4.3 pp -69.07 -23.4 64.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -73.48 -36.24 65.78 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.77 -35.99 79.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.436 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' 2075 ' ' LEU . 28.0 ptm . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 3.6 pp . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -87.45 -17.67 31.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.892 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 23.9 m -79.85 149.89 30.83 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.529 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' 2035 ' ' ARG . 9.4 mpt_? -84.15 117.5 23.52 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.5 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.478 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 49.9 mm -82.85 122.35 78.08 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.766 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.553 ' HA ' ' O ' ' A' 2047 ' ' LEU . 29.2 Cg_endo -66.77 123.86 11.58 Favored 'Trans proline' 0 N--CA 1.437 -1.845 0 C-N-CA 121.547 1.498 . . . . 0.0 110.121 175.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . 0.409 HG11 HD21 ' A' 2058 ' ' LEU . 13.4 m -124.02 148.01 28.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.592 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' 2068 ' ' PHE . 15.1 tt -115.88 134.91 57.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.44 121.63 23.36 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 68.8 mttt -61.96 -38.96 90.46 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 123.774 0.671 . . . . 0.0 110.934 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 45.8 t -73.08 -56.58 9.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.878 -172.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.72 -42.58 12.53 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 109.18 3.5 31.32 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.188 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 5.7 m -57.39 117.15 3.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.609 0.764 . . . . 0.0 109.677 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 47.4 tp -107.16 121.49 44.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' 2037 ' ' PRO . 72.1 mt -98.26 116.67 30.96 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' 2037 ' ' PRO . 35.9 m -129.88 163.17 36.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 O-C-N 123.326 0.392 . . . . 0.0 110.176 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.63 -101.42 0.4 Allowed Glycine 0 CA--C 1.516 0.155 0 O-C-N 123.755 0.659 . . . . 0.0 114.449 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.35 -14.0 22.85 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.054 0.454 . . . . 0.0 112.136 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.36 -10.4 32.74 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 111.162 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -90.1 143.56 29.98 Favored Pre-proline 0 C--N 1.3 -1.582 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 5.9 Cg_exo -83.06 149.24 13.58 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 122.264 1.976 . . . . 0.0 113.388 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.481 ' HB3' ' OE1' ' A' 2057 ' ' GLU . 37.2 ttm105 -64.74 131.08 45.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.647 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 79.9 ttt180 -49.68 -38.16 31.62 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.63 -26.43 63.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.478 0.711 . . . . 0.0 112.028 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' 2054 ' ' ARG . 26.6 mt-10 -100.74 -38.04 8.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.226 1.012 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -48.33 -46.74 36.86 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 126.855 2.062 . . . . 0.0 113.381 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 2063 ' ' GLN . 8.0 pt-20 -61.04 -43.3 99.09 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.534 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 63.6 mtt -70.77 -36.42 73.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.37 0.605 . . . . 0.0 109.405 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.36 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.88 -33.2 74.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.794 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' 2059 ' ' GLU . 24.2 mm-40 -63.18 -27.81 69.62 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.23 -8.32 86.96 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.304 176.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 82.55 0.23 Allowed Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 125.33 1.452 . . . . 0.0 113.479 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -90.92 5.59 4.04 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.348 2.032 . . . . 0.0 111.085 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 72.15 35.33 1.27 Allowed 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 124.898 1.279 . . . . 0.0 111.772 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' 2039 ' ' ILE . 38.1 m-85 -111.92 139.78 47.13 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.68 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -120.42 162.25 19.84 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 60.1 t -74.57 132.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.468 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 7.8 t70 -51.77 121.02 17.32 Favored Pre-proline 0 C--O 1.251 1.183 0 C-N-CA 123.656 0.783 . . . . 0.0 112.331 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.421 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 20.8 Cg_endo -62.73 -30.08 77.87 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.053 2.502 . . . . 0.0 112.001 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.468 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 11.4 ttp180 -63.29 -51.53 65.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.86 -52.53 56.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.105 0.962 . . . . 0.0 111.194 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' 2072 ' ' PRO . 4.4 pp -68.52 -29.78 68.44 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -74.81 -35.31 62.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.79 0.328 . . . . 0.0 110.993 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.99 -47.28 65.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.814 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.661 0.743 . . . . 0.0 110.022 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.91 -17.19 28.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.132 0.491 . . . . 0.0 111.447 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.7 m -71.5 132.3 44.53 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 53.1 mtt180 -79.65 111.92 16.41 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.145 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.54 116.84 66.07 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.005 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.421 ' HB3' HG12 ' A' 2048 ' ' VAL . 7.4 Cg_exo -72.66 124.63 9.91 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 C-N-CA 121.856 1.704 . . . . 0.0 109.293 174.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -114.97 144.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.533 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.422 ' HB ' HD13 ' A' 2046 ' ' LEU . 13.3 tt -123.37 128.43 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.097 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.25 127.49 33.1 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -64.32 -36.68 84.92 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 52.5 t -86.27 -59.05 2.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.307 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.35 -48.41 23.19 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 122.917 0.487 . . . . 0.0 111.823 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.56 10.8 28.34 Favored Glycine 0 C--N 1.306 -1.091 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' 2039 ' ' ILE . 2.8 m -58.81 110.43 1.01 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.581 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' 2039 ' ' ILE . 60.1 tp -106.74 121.6 44.7 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.334 0.588 . . . . 0.0 110.377 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 81.9 mt -107.37 115.44 30.17 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' 2037 ' ' PRO . 31.0 m -124.56 153.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 55.54 -110.69 1.96 Allowed Glycine 0 C--O 1.224 -0.472 0 O-C-N 124.161 0.913 . . . . 0.0 114.571 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.03 -39.86 83.28 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 123.922 0.889 . . . . 0.0 112.442 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.68 1.65 57.15 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.382 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -102.9 122.69 44.79 Favored Pre-proline 0 N--CA 1.43 -1.425 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -73.51 154.8 50.4 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 121.617 1.545 . . . . 0.0 112.246 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 0.7 OUTLIER -65.24 146.85 54.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.546 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 22.6 tpt180 -49.21 -36.17 19.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.26 91.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.93 0.395 . . . . 0.0 111.211 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.18 -33.29 20.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.481 0.658 . . . . 0.0 110.392 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -61.04 -33.05 72.68 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 111.545 -177.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.71 -53.95 52.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.511 0.672 . . . . 0.0 110.401 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 96.9 mmm -66.7 -27.56 67.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.055 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 77.2 t90 -71.66 -48.52 47.11 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.556 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.24 -31.75 70.49 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 122.807 0.443 . . . . 0.0 111.383 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -55.83 -36.28 67.32 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.818 176.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -85.07 -24.38 44.82 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.912 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -142.59 86.38 9.77 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.966 0.413 . . . . 0.0 111.312 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -79.12 11.93 2.45 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 112.245 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.15 -1.2 57.21 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.702 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -104.55 136.1 44.72 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.089 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -112.59 172.84 6.68 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -86.77 140.8 15.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' 2072 ' ' PRO . 22.9 t70 -60.52 123.15 72.54 Favored Pre-proline 0 C--O 1.245 0.835 0 O-C-N 123.262 0.351 . . . . 0.0 111.582 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 29.7 Cg_exo -63.97 -24.12 67.44 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.15 2.567 . . . . 0.0 113.701 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -78.76 -32.71 46.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.21 -36.14 83.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.1 -42.03 94.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.961 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.21 -20.99 66.4 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 121.516 0.674 . . . . 0.0 111.736 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.17 -31.73 70.56 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.531 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.715 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' A' 2056 ' ' ALA . 3.2 pp . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.25 11.2 1.0 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -172.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.5 t -134.5 169.28 17.5 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -93.31 131.83 38.08 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.32 112.84 57.18 Favored Pre-proline 0 C--N 1.3 -1.555 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.56 ' HB3' HG12 ' A' 2048 ' ' VAL . 48.5 Cg_endo -70.4 120.76 7.39 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.504 1.469 . . . . 0.0 110.271 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.8 m -117.56 154.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.526 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.5 tt -127.67 131.52 69.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.1 129.67 40.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -69.58 -25.62 64.07 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 44.9 t -91.95 -48.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-O 121.052 0.453 . . . . 0.0 111.631 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -91.96 -33.06 15.01 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 94.64 15.2 47.36 Favored Glycine 0 C--N 1.305 -1.153 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.8 m -65.11 107.93 1.69 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 110.564 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . 0.842 HD11 HG13 ' A' 2048 ' ' VAL . 1.8 tm? -91.02 139.63 30.59 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' 2052 ' ' ALA . 76.5 mt -126.07 104.36 8.22 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.548 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . 0.842 HG13 HD11 ' A' 2046 ' ' LEU . 8.2 m -111.19 170.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 171.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.43 -132.91 44.95 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.351 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.77 -3.75 57.02 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.66 -24.04 45.4 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' 2047 ' ' LEU . . . -86.37 144.69 38.5 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.37 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.16 158.4 45.37 Favored 'Trans proline' 0 C--O 1.255 1.339 0 C-N-CA 122.166 1.911 . . . . 0.0 111.539 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -73.58 146.7 44.52 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.445 ' HA ' ' HB2' ' A' 2058 ' ' LEU . 10.0 tpt180 -59.4 -31.84 69.62 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 123.373 0.42 . . . . 0.0 110.794 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' 2032 ' ' LEU . . . -52.77 -36.86 58.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.197 0.599 . . . . 0.0 112.21 176.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -117.18 9.74 13.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.778 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -58.73 -57.4 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.854 0.462 . . . . 0.0 112.065 -173.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.94 -31.38 70.23 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.976 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 26.6 mmt -66.79 -35.55 80.35 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.641 0.734 . . . . 0.0 109.822 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 52.6 t90 -71.36 -46.33 60.72 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.026 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.81 -32.33 73.51 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.598 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.51 -29.79 68.12 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.733 0.813 . . . . 0.0 110.476 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -99.7 -16.11 29.77 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.562 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 5.6 t60 -151.84 87.65 4.34 Favored Pre-proline 0 C--N 1.31 -1.117 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -84.33 15.17 2.24 Favored 'Trans proline' 0 N--CA 1.481 0.75 0 C-N-CA 123.474 2.783 . . . . 0.0 113.667 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.14 6.76 27.75 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.935 0.398 . . . . 0.0 111.911 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.55 142.87 45.44 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.88 0.372 . . . . 0.0 111.018 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -117.52 167.32 11.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.1 p -83.77 143.26 12.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.14 129.77 88.73 Favored Pre-proline 0 C--O 1.245 0.841 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.001 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.56 -29.17 84.11 Favored 'Trans proline' 0 C--O 1.243 0.757 0 C-N-CA 123.299 2.666 . . . . 0.0 114.051 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.14 -21.3 43.31 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.001 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -71.31 -32.16 68.27 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 174.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.67 -36.17 83.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.263 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.73 85.88 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.145 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.928 0.491 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 C--N 1.311 -1.088 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.346 176.738 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.5 -10.43 59.55 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.37 0.605 . . . . 0.0 111.624 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 34.6 m -59.31 130.68 48.14 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 124.815 1.246 . . . . 0.0 110.015 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -85.84 95.51 9.46 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.46 HG13 ' HD3' ' A' 2055 ' ' ARG . 45.9 mm -74.56 122.95 88.66 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.095 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.428 ' HB3' HG12 ' A' 2048 ' ' VAL . 3.9 Cg_exo -68.15 139.87 47.67 Favored 'Trans proline' 0 C--O 1.245 0.863 0 C-N-CA 122.48 2.12 . . . . 0.0 111.947 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.7 m -126.12 154.49 35.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.206 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.446 HG12 ' N ' ' A' 2040 ' ' ASN . 11.8 tt -139.52 157.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' 2067 ' ' GLU . 1.1 m120 -55.51 140.81 39.28 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 167.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . 0.519 ' HE3' ' HB2' ' A' 2069 ' ' ALA . 45.7 mttp -74.46 -13.4 60.7 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.991 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -76.55 -19.83 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 73.0 89.17 0.09 Allowed 'General case' 0 CA--C 1.458 -2.559 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.257 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -165.18 -67.44 0.02 OUTLIER Glycine 0 N--CA 1.401 -3.636 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 85.9 m -73.68 100.97 3.51 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.889 -0.655 . . . . 0.0 110.329 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 58.8 tp -97.68 138.73 34.63 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' 2052 ' ' ALA . 84.6 mt -122.61 123.12 40.44 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' 2037 ' ' PRO . 35.4 m -131.26 161.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.41 -125.27 17.39 Favored Glycine 0 C--N 1.315 -0.624 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -88.12 -4.41 58.76 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.99 0.424 . . . . 0.0 111.764 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.63 -22.75 40.28 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' 2047 ' ' LEU . . . -99.71 149.09 35.6 Favored Pre-proline 0 N--CA 1.433 -1.278 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.21 174.19 11.69 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.283 1.989 . . . . 0.0 112.409 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -79.94 159.38 26.34 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 174.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.46 ' HD3' HG13 ' A' 2036 ' ' ILE . 8.8 tpt180 -61.13 -32.62 72.32 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.334 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -64.72 -22.24 66.94 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -102.95 -26.04 13.24 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -47.7 -51.4 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 126.64 1.976 . . . . 0.0 114.406 -169.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.24 -47.99 74.86 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.891 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 57.3 mtm -64.2 -39.84 94.82 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.998 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.66 -49.36 73.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.395 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.38 -33.7 76.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 120.775 0.321 . . . . 0.0 111.538 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -22.82 67.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.33 0.586 . . . . 0.0 110.897 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -106.3 8.92 41.77 Favored Glycine 0 N--CA 1.429 -1.806 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.014 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.3 m80 -142.53 82.55 12.61 Favored Pre-proline 0 C--N 1.318 -0.786 0 C-N-CA 122.729 0.412 . . . . 0.0 110.366 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -66.32 -22.54 52.81 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.258 1.972 . . . . 0.0 112.503 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.554 ' O ' ' HA ' ' A' 2040 ' ' ASN . 14.5 pt-20 -78.29 -4.87 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.534 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . 0.49 ' CD2' ' HG3' ' A' 2067 ' ' GLU . 69.2 m-85 -120.95 156.66 31.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.519 ' HB2' ' HE3' ' A' 2041 ' ' LYS . . . -153.61 165.98 34.22 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -62.95 141.1 18.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.79 122.82 68.21 Favored Pre-proline 0 C--O 1.243 0.747 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.61 -25.16 54.86 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 112.21 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -77.36 -38.21 50.64 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.95 -39.32 91.73 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.43 -50.77 72.5 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.54 80.88 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.857 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.73 -41.71 91.89 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.02 0.928 . . . . 0.0 111.041 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -5.18 51.12 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 11.9 t -77.24 157.99 30.52 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 121.201 0.524 . . . . 0.0 110.669 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.09 102.74 15.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.76 121.7 82.18 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.561 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -67.93 116.62 4.4 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.062 1.841 . . . . 0.0 109.658 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.8 m -112.41 137.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -120.65 129.95 75.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 24.0 t-20 -69.9 129.55 39.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -73.4 -35.42 65.87 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . 0.415 HG12 ' OD1' ' A' 2040 ' ' ASN . 8.8 p -80.23 -48.65 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.674 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.98 -53.83 6.64 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.743 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 108.67 8.52 28.23 Favored Glycine 0 C--N 1.293 -1.81 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.554 -175.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' 2039 ' ' ILE . 21.1 m -62.98 112.14 2.46 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.2 tp -100.26 115.66 30.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.93 127.84 37.55 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.7 m -129.58 156.24 41.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 74.5 -148.13 38.3 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.381 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -71.8 -8.02 51.74 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.433 0.635 . . . . 0.0 111.413 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.5 -18.27 49.08 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.851 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -95.94 146.68 31.73 Favored Pre-proline 0 N--CA 1.432 -1.369 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.87 143.35 79.43 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 121.874 1.716 . . . . 0.0 111.377 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -71.84 145.11 48.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -49.15 -36.02 18.21 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.44 96.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.036 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.23 -45.7 17.54 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.04 -39.24 19.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.44 1.896 . . . . 0.0 111.575 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.61 -52.83 63.87 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' 2063 ' ' GLN . 1.0 OUTLIER -75.1 -32.49 61.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 53.8 t90 -57.9 -56.37 22.85 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.021 1.328 . . . . 0.0 110.536 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.5 -33.12 59.31 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.727 0.642 . . . . 0.0 112.386 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' 2060 ' ' MET . 8.9 tt0 -58.36 -44.97 89.03 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.879 0.872 . . . . 0.0 112.277 -177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.65 -15.96 27.86 Favored Glycine 0 C--N 1.302 -1.346 0 C-N-CA 119.655 -1.259 . . . . 0.0 112.232 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 30.1 t60 -158.15 92.28 2.12 Favored Pre-proline 0 C--N 1.297 -1.688 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . 0.549 ' C ' ' H ' ' A' 2068 ' ' PHE . 12.6 Cg_endo -78.19 -80.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.404 -3.736 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 172.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 51.39 -35.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.052 2.541 . . . . 0.0 114.545 -173.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . 0.549 ' H ' ' C ' ' A' 2066 ' ' PRO . 31.3 m-85 -105.71 172.42 6.81 Favored 'General case' 0 C--N 1.247 -3.883 0 C-N-CA 127.713 2.405 . . . . 0.0 106.658 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -146.0 162.28 38.22 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 5.4 p -70.1 134.22 30.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.3 124.73 62.33 Favored Pre-proline 0 C--O 1.248 1.016 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.15 -22.81 53.67 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.699 2.266 . . . . 0.0 114.094 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.627 ' O ' ' HD3' ' A' 2073 ' ' ARG . 0.1 OUTLIER -81.49 -31.44 32.9 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.96 -38.82 92.6 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.125 0.488 . . . . 0.0 109.809 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.61 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.327 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.64 -38.85 91.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.348 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.219 179.568 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.4 ' HG2' ' NH2' ' A' 2054 ' ' ARG . 46.8 mt-10 -99.78 -17.76 17.54 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.757 0.708 . . . . 0.0 112.006 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.5 m -65.14 136.78 57.1 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' 2052 ' ' ALA . 14.1 mmt180 -82.79 102.56 11.66 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.469 HG13 ' HD3' ' A' 2055 ' ' ARG . 47.7 mm -72.54 116.36 48.8 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.659 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' 2047 ' ' LEU . 5.5 Cg_exo -70.32 118.82 5.9 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 121.918 1.745 . . . . 0.0 109.495 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -117.56 147.08 21.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.883 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.8 tt -124.06 133.8 68.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.98 124.59 24.44 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -67.96 -25.19 65.32 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 51.5 t -89.73 -58.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.91 -47.82 15.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.29 0.567 . . . . 0.0 111.974 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.63 12.37 22.99 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -174.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.8 m -65.45 113.0 3.82 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 57.0 tp -97.99 126.27 43.33 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' 2037 ' ' PRO . 79.5 mt -104.93 124.81 50.13 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 19.7 m -130.41 171.54 17.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 O-C-N 123.737 0.648 . . . . 0.0 109.558 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 57.64 -132.16 52.42 Favored Glycine 0 N--CA 1.446 -0.643 0 O-C-N 123.42 0.45 . . . . 0.0 112.505 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.4 5.75 43.78 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.48 -18.43 23.21 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.495 ' O ' ' HD2' ' A' 2035 ' ' ARG . . . -83.56 142.81 43.29 Favored Pre-proline 0 N--CA 1.417 -2.097 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 13.7 Cg_exo -69.86 146.0 58.25 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.229 1.953 . . . . 0.0 112.339 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.555 ' O ' ' HG2' ' A' 2057 ' ' GLU . 46.3 ttt180 -71.56 138.23 48.65 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 174.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.469 ' HD3' HG13 ' A' 2036 ' ' ILE . 20.6 tpt180 -49.41 -32.83 12.45 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 123.751 0.82 . . . . 0.0 113.0 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.401 ' H ' ' HG2' ' A' 2054 ' ' ARG . . . -61.98 -35.89 79.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.0 pt-20 -94.92 -16.83 22.53 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.6 -40.17 74.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 111.338 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.17 -41.66 93.29 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.543 0.687 . . . . 0.0 111.051 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 61.5 mtt -75.21 -40.8 58.85 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.928 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 25.5 t90 -65.12 -48.46 73.54 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.366 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 39.8 mt -68.1 -34.41 76.33 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.06 -21.62 63.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.841 0.829 . . . . 0.0 109.343 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -78.4 -0.65 79.27 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.333 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 36.7 m80 61.97 76.52 0.39 Allowed Pre-proline 0 N--CA 1.466 0.363 0 C-N-CA 125.371 1.468 . . . . 0.0 113.1 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -95.74 -8.15 1.33 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.028 1.819 . . . . 0.0 112.159 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 69.83 28.68 4.26 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.254 1.421 . . . . 0.0 111.581 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.6 153.82 21.8 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.829 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -132.03 162.38 30.9 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -72.96 137.89 22.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 123.292 0.37 . . . . 0.0 110.965 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.4 t70 -62.94 128.25 91.86 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 32.3 Cg_exo -62.21 -24.26 76.05 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.541 2.828 . . . . 0.0 113.898 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.448 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 40.9 ttm180 -73.58 -38.03 65.3 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.87 -35.25 78.2 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.877 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 86.3 mt -60.57 -44.1 96.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.0 85.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.426 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.54 -38.55 87.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.105 0.562 . . . . 0.0 110.983 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 C--N 1.319 -0.748 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.139 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 N--CA 1.504 2.238 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.79 -12.57 59.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.259 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . . . . . . . . . 9.1 m -61.01 126.91 29.09 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 6.2 mpt_? -81.87 113.81 20.05 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . 0.446 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 37.0 mm -83.27 118.56 71.97 Favored Pre-proline 0 C--N 1.309 -1.195 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.13 138.78 74.64 Favored 'Trans proline' 0 C--O 1.247 0.975 0 C-N-CA 122.48 2.12 . . . . 0.0 112.104 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . 0.473 HG11 HD21 ' A' 2058 ' ' LEU . 15.9 m -131.04 152.73 38.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.226 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.9 tt -130.63 128.92 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.455 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 26.7 t-20 -73.59 123.37 23.85 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -73.96 -21.35 60.05 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 42.6 t -85.91 -48.87 15.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.78 -37.32 11.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 97.06 27.06 9.69 Favored Glycine 0 C--N 1.296 -1.647 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' 2040 ' ' ASN . 3.0 m -73.61 105.08 4.79 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.8 tp -98.21 124.43 42.78 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.094 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 84.4 mt -108.73 114.97 29.2 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 18.5 m -127.59 172.33 14.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 122.868 0.467 . . . . 0.0 109.816 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.68 -118.0 10.09 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.66 7.85 26.72 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.111 0.481 . . . . 0.0 110.346 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.46 -25.6 61.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -91.92 144.09 28.74 Favored Pre-proline 0 N--CA 1.427 -1.616 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.751 178.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 14.6 Cg_exo -70.93 158.65 54.85 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.451 2.101 . . . . 0.0 112.518 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 26.4 ptt180 -70.28 146.74 50.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 18.2 tpt180 -47.78 -41.06 22.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.913 1.685 . . . . 0.0 112.429 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.97 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.183 0.927 . . . . 0.0 111.513 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -93.94 -36.06 12.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.714 0.769 . . . . 0.0 110.36 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . 0.473 HD21 HG11 ' A' 2038 ' ' VAL . 3.2 tm? -54.7 -40.0 68.72 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.819 1.648 . . . . 0.0 112.944 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' 2063 ' ' GLN . 11.3 pt-20 -61.54 -44.35 97.2 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.867 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 50.7 ttm -71.89 -37.81 70.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.186 0.517 . . . . 0.0 109.672 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 68.7 t90 -60.1 -44.61 94.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.54 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.99 -38.81 92.19 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.642 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.9 mm100 -66.11 -28.53 68.88 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -69.59 -14.22 69.41 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.238 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 71.29 79.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 125.232 1.413 . . . . 0.0 112.038 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -93.83 6.23 2.72 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.411 2.074 . . . . 0.0 110.423 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 74.82 13.16 3.5 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.665 1.586 . . . . 0.0 111.088 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' A' 2040 ' ' ASN . 34.2 m-85 -103.46 144.64 31.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.707 174.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -121.32 160.33 24.19 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 6.7 p -69.3 131.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 O-C-N 123.731 0.644 . . . . 0.0 109.862 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.49 117.87 23.77 Favored Pre-proline 0 C--O 1.243 0.741 0 O-C-N 123.7 0.625 . . . . 0.0 110.454 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.19 -16.22 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.643 2.228 . . . . 0.0 113.678 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -80.48 -33.59 36.51 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.324 0.583 . . . . 0.0 109.557 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 59.9 t80 -71.72 -32.02 67.34 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.513 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.98 -32.73 69.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.59 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.1 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.34 -32.66 66.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.215 0.531 . . . . 0.0 110.362 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.793 178.618 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 2032 ' ' LEU . . . . . 0.492 ' C ' ' HG3' ' A' 2055 ' ' ARG . 89.0 mt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.05 0.452 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.24 -16.24 10.96 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.577 0.703 . . . . 0.0 110.767 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2034 ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' 2055 ' ' ARG . 27.9 m -101.83 122.41 43.93 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.285 -0.871 . . . . 0.0 108.922 -176.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -65.45 148.92 50.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 118.153 0.433 . . . . 0.0 110.6 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 38.8 mm -102.94 117.36 60.73 Favored Pre-proline 0 C--N 1.302 -1.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.913 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2037 ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' 2047 ' ' LEU . 3.5 Cg_exo -70.71 125.25 11.46 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.759 1.639 . . . . 0.0 109.804 175.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 31.3 m -117.82 148.95 20.29 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.417 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.7 tt -122.91 137.69 55.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.953 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.27 122.93 21.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.13 -28.48 67.92 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.1 t -98.98 -59.87 3.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-O 121.081 0.467 . . . . 0.0 111.869 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -79.12 -25.04 43.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -171.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 91.84 16.49 51.4 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 120.108 -1.044 . . . . 0.0 112.057 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -65.09 114.15 4.42 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.6 tp -108.52 119.6 40.0 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.169 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2047 ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' 2037 ' ' PRO . 68.5 mt -98.4 111.32 23.7 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.289 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.2 m -124.59 168.46 17.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.675 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.7 -139.84 32.28 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.365 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.74 -0.4 38.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.764 0.792 . . . . 0.0 111.902 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.57 -6.0 37.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.866 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -87.54 135.52 34.14 Favored Pre-proline 0 N--CA 1.424 -1.742 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -55.6 158.33 13.4 Favored 'Trans proline' 0 C--O 1.258 1.487 0 C-N-CA 124.069 3.179 . . . . 0.0 115.12 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -67.47 121.03 14.92 Favored 'General case' 0 N--CA 1.406 -2.625 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.419 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2055 ' ' ARG . . . . . 0.723 ' H ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -48.74 -47.42 41.48 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 125.218 1.407 . . . . 0.0 113.312 -176.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.79 -26.2 68.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -97.28 -19.34 18.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.666 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.64 -39.28 61.61 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 124.721 1.208 . . . . 0.0 112.055 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' 2063 ' ' GLN . 23.6 mt-10 -55.84 -55.19 35.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.683 0.754 . . . . 0.0 109.525 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2060 ' ' MET . . . . . . . . . . . . . 47.0 ttm -67.84 -37.66 82.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.31 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 21.9 t90 -60.47 -44.94 95.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.206 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 63.1 mt -67.77 -32.96 73.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.721 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.6 mm100 -63.69 -30.46 71.56 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.09 -28.01 65.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 25.0 t-80 64.57 87.18 0.12 Allowed Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.831 1.652 . . . . 0.0 112.519 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -98.11 25.44 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.948 3.099 . . . . 0.0 111.67 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 83.82 -8.9 1.02 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.549 1.939 . . . . 0.0 111.289 -177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.61 152.64 18.85 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.474 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -141.27 177.06 8.35 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 30.3 m -72.33 146.96 10.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 118.308 0.504 . . . . 0.0 110.785 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2071 ' ' ASP . . . . . 0.523 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 2.0 t70 -69.27 128.28 92.53 Favored Pre-proline 0 C--N 1.304 -1.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.218 177.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.79 -26.31 79.74 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.062 2.508 . . . . 0.0 113.0 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . 0.523 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 36.8 ttm180 -74.19 -32.99 63.29 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2074 ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' A' 2077 ' ' TYR . 67.2 t80 -69.6 -34.98 74.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.928 0.891 . . . . 0.0 110.106 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.62 -37.34 86.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.238 0.542 . . . . 0.0 110.113 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.86 70.45 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.711 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2077 ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' 2074 ' ' PHE . 57.7 t80 -54.76 -48.22 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.331 0.653 . . . . 0.0 110.317 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.9 mtt . . . . . 0 C--O 1.245 0.851 0 CA-C-O 120.822 0.344 . . . . 0.0 110.766 177.786 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.243 0.732 0 CA-C-O 122.644 1.211 . . . . 0.0 108.272 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -160.63 -160.08 0.73 Allowed 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.553 HG13 ' H ' ' A' 2032 ' ' LEU . 9.8 p -102.78 -21.06 5.36 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.111 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.97 2.93 4.1 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 126.158 1.783 . . . . 0.0 114.087 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.553 ' H ' HG13 ' A' 2030 ' ' VAL . 94.2 mt 70.33 -31.83 0.23 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 169.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.47 -7.33 59.57 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 119.067 0.848 . . . . 0.0 111.883 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.464 HG21 HG22 ' A' 2030 ' ' VAL . 1.9 t -68.45 161.98 26.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -100.54 118.07 35.97 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.561 HG13 ' HD3' ' A' 2055 ' ' ARG . 47.7 mm -89.01 119.3 69.8 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.923 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -66.75 126.51 15.48 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 121.839 1.692 . . . . 0.0 108.968 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.6 m -121.19 150.44 24.21 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.01 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.6 tt -130.12 136.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.583 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.47 115.91 17.61 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.79 -14.51 61.12 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 29.8 t -91.53 -56.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.67 -63.47 1.34 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.429 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 130.75 -15.59 5.42 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.226 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 90.7 m -50.4 119.54 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.88 0.472 . . . . 0.0 112.189 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.1 tp -104.51 126.58 51.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.01 127.84 54.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.5 m -132.52 165.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 O-C-N 123.261 0.351 . . . . 0.0 110.422 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.63 -137.49 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.72 1.41 55.19 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.364 0.602 . . . . 0.0 111.116 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 8.4 t0 -77.39 -33.0 55.23 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -83.64 142.73 42.99 Favored Pre-proline 0 N--CA 1.423 -1.778 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.514 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -69.28 164.6 33.44 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 123.308 2.672 . . . . 0.0 113.923 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -71.34 150.72 44.82 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.561 ' HD3' HG13 ' A' 2036 ' ' ILE . 13.7 tpt180 -62.36 -30.87 71.49 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-O 120.621 0.248 . . . . 0.0 111.125 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.05 96.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.657 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.81 -23.52 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.76 -42.85 26.59 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.964 1.705 . . . . 0.0 112.058 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' 2063 ' ' GLN . 10.3 tp10 -54.59 -53.93 48.04 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 123.687 0.617 . . . . 0.0 110.202 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 71.3 mtm -75.09 -32.65 61.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 44.3 t90 -62.14 -45.35 93.82 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.838 0.855 . . . . 0.0 110.359 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 61.3 mt -68.44 -32.78 73.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.662 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2059 ' ' GLU . 57.1 mt-30 -61.53 -34.01 74.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.779 0.323 . . . . 0.0 111.466 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.03 54.5 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.435 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -140.79 90.53 9.61 Favored Pre-proline 0 C--N 1.318 -0.764 0 C-N-CA 123.051 0.54 . . . . 0.0 110.617 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -68.7 -2.05 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.099 2.533 . . . . 0.0 112.321 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.0 -36.41 79.41 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.952 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.96 146.0 24.54 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.046 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -142.55 173.52 11.46 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 31.1 m -71.77 149.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 123.344 0.403 . . . . 0.0 109.993 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' 2072 ' ' PRO . 19.3 t70 -63.6 122.46 76.49 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.089 176.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 26.8 Cg_exo -62.48 -26.02 76.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.6 2.2 . . . . 0.0 112.959 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -74.46 -29.1 61.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.2 t80 -68.31 -32.79 73.18 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.96 -39.11 76.22 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.69 -30.55 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.485 0.659 . . . . 0.0 110.2 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -67.66 -33.89 75.83 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.93 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 23.2 mmt -74.01 -29.21 61.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.773 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -66.93 -41.21 87.4 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.5 -42.62 99.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.228 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -68.94 109.02 3.73 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.637 0.732 . . . . 0.0 110.044 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -129.66 168.4 16.54 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.049 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 19.5 pttp -120.29 -13.21 8.91 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -140.78 161.01 38.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.43 -1.439 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -147.16 -59.8 0.28 Allowed 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.264 0.554 . . . . 0.0 110.807 -173.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' 2034 ' ' THR . 2.4 p -131.37 119.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.847 0.832 . . . . 0.0 110.8 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -95.76 23.13 6.48 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.736 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.45 ' H ' HG22 ' A' 2030 ' ' VAL . 95.8 mt 72.87 -30.33 0.21 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.117 1.367 . . . . 0.0 113.375 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.96 -7.42 57.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.997 -0.44 . . . . 0.0 110.757 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.465 ' HB ' HG23 ' A' 2030 ' ' VAL . 1.3 m -61.35 132.87 54.92 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.758 0.823 . . . . 0.0 108.874 177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -84.72 107.33 16.85 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 40.2 mm -83.0 123.89 77.19 Favored Pre-proline 0 C--N 1.31 -1.138 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.83 137.89 51.12 Favored 'Trans proline' 0 C--O 1.244 0.777 0 C-N-CA 122.374 2.05 . . . . 0.0 111.964 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 27.7 m -130.72 162.12 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.382 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -136.58 137.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.039 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -81.15 117.17 21.47 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.94 -29.65 65.74 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 122.931 0.492 . . . . 0.0 111.546 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.2 t -76.18 -54.33 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.727 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.15 -54.43 5.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.016 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.61 -6.84 9.04 Favored Glycine 0 C--N 1.312 -0.781 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.528 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' 2039 ' ' ILE . 1.9 m -53.64 120.32 6.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.522 1.129 . . . . 0.0 111.327 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 53.9 tp -107.47 125.81 51.73 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' 2051 ' ' ASP . 38.3 mt -109.35 124.53 51.12 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 16.9 m -134.99 175.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 123.66 0.6 . . . . 0.0 110.066 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.511 -0.186 0 O-C-N 123.527 0.517 . . . . 0.0 112.7 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -99.23 -3.97 33.03 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.382 0.611 . . . . 0.0 110.67 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' 2047 ' ' LEU . 23.9 t70 -84.4 -26.12 28.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -73.98 150.35 88.03 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.639 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.21 136.62 22.44 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.813 2.342 . . . . 0.0 114.162 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.426 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 32.9 ttt180 -55.83 130.42 43.47 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 125.322 1.449 . . . . 0.0 107.821 173.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 24.8 tpt180 -48.28 -45.64 34.99 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.39 70.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 111.27 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 25.7 mm-40 -83.27 -41.03 18.79 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.1 tm? -47.91 -49.25 30.57 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.901 2.08 . . . . 0.0 113.688 -174.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.23 -34.81 78.87 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.816 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 69.7 mtm -74.8 -38.13 62.19 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.709 0.766 . . . . 0.0 109.041 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.7 t90 -62.78 -46.03 89.92 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 124.769 1.227 . . . . 0.0 111.713 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.77 -34.04 72.46 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.95 0.5 . . . . 0.0 111.856 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.9 -27.33 68.12 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.786 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.8 -1.29 58.72 Favored Glycine 0 C--N 1.307 -1.044 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.743 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.7 m80 -136.76 76.62 46.82 Favored Pre-proline 0 C--N 1.319 -0.718 0 O-C-N 122.704 -0.292 . . . . 0.0 110.787 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.17 -10.43 28.6 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.52 2.147 . . . . 0.0 112.132 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.33 -26.91 63.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.146 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -104.12 152.51 22.02 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -144.94 163.5 33.98 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 35.1 m -76.8 151.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-O 120.892 0.377 . . . . 0.0 111.21 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 12.1 t70 -61.97 125.15 84.51 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.978 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 16.9 Cg_exo -67.46 -18.34 49.24 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.049 2.499 . . . . 0.0 113.931 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.526 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 18.3 mtp180 -76.38 -38.53 55.59 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 86.0 t80 -64.03 -40.7 96.91 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' 2079 ' ' GLU . 82.8 mt -59.16 -39.05 81.26 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.158 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.44 85.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.217 0.532 . . . . 0.0 110.746 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.08 -35.68 74.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 111.086 174.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.6 ttt -73.13 -29.82 63.16 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' 2075 ' ' LEU . 36.6 mt-10 -75.83 -39.19 57.16 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.212 0.53 . . . . 0.0 110.149 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.49 -45.28 65.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.989 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' 2078 ' ' MET . 67.9 ttt180 45.97 80.26 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.647 1.979 . . . . 0.0 114.812 172.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -160.08 120.06 2.91 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.297 0.57 . . . . 0.0 111.033 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 148.63 25.3 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -119.13 81.45 1.71 Allowed 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.843 0.83 . . . . 0.0 109.765 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 19.7 ptmt . . . . . 0 C--N 1.31 -1.124 0 CA-C-N 113.837 -1.529 . . . . 0.0 108.949 177.537 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -176.64 -53.1 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 124.944 1.298 . . . . 0.0 107.768 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.628 HG21 ' HG3' ' A' 2055 ' ' ARG . 27.6 m -67.66 -19.24 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.386 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.25 14.44 5.61 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.114 1.366 . . . . 0.0 111.285 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.574 ' H ' HG23 ' A' 2030 ' ' VAL . 78.8 mt 69.69 0.71 3.1 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 125.914 1.686 . . . . 0.0 113.426 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -96.13 -16.71 21.37 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 38.1 m -64.22 137.26 57.85 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-O 120.741 0.305 . . . . 0.0 110.705 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -82.35 121.41 26.66 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.519 ' O ' ' HB1' ' A' 2052 ' ' ALA . 45.9 mm -93.63 119.75 66.85 Favored Pre-proline 0 C--N 1.297 -1.691 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.538 ' HA ' ' O ' ' A' 2047 ' ' LEU . 11.8 Cg_exo -59.42 118.36 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.498 2.132 . . . . 0.0 110.563 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.3 m -113.25 142.69 24.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.46 ' CG1' ' HA2' ' A' 2044 ' ' GLY . 16.9 tt -116.13 143.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . 0.657 ' OD1' ' HB ' ' A' 2042 ' ' VAL . 1.6 t-20 -65.28 136.38 56.51 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.799 -0.62 . . . . 0.0 109.331 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . 0.464 ' HD3' ' C ' ' A' 2067 ' ' GLU . 1.9 mptm? -64.0 -36.14 82.99 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 170.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . 0.657 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 21.9 t -68.72 -60.53 2.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.559 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.07 67.52 0.25 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' A' 2039 ' ' ILE . . . 72.34 26.99 70.69 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 155.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' 2040 ' ' ASN . 16.7 m -74.71 104.11 5.24 Favored 'General case' 0 N--CA 1.399 -3.016 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.8 tp -97.58 119.83 36.84 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.231 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' 2037 ' ' PRO . 64.4 mt -102.55 129.12 49.0 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.8 m -130.55 169.12 21.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 68.41 -134.42 28.62 Favored Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.28 -12.8 57.81 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.176 0.512 . . . . 0.0 110.862 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.1 -32.58 69.23 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -85.11 147.5 47.93 Favored Pre-proline 0 N--CA 1.423 -1.794 0 CA-C-N 114.466 -1.243 . . . . 0.0 107.952 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.401 ' HG2' HD23 ' A' 2058 ' ' LEU . 94.3 Cg_endo -77.11 153.62 32.25 Favored 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.03 1.82 . . . . 0.0 113.55 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -68.58 138.28 54.97 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.628 ' HG3' HG21 ' A' 2030 ' ' VAL . 0.6 OUTLIER -50.53 -42.31 54.96 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 118.876 0.762 . . . . 0.0 112.357 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.8 67.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.341 0.4 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -91.28 -26.81 18.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.045 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.401 HD23 ' HG2' ' A' 2053 ' ' PRO . 2.8 tm? -47.73 -43.44 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.994 1.718 . . . . 0.0 112.956 -175.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' 2063 ' ' GLN . 11.0 pt-20 -63.3 -54.67 33.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 43.1 tpp -65.99 -30.44 71.0 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.603 0.716 . . . . 0.0 110.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . 0.418 ' O ' ' HD3' ' A' 2066 ' ' PRO . 32.1 t90 -63.76 -46.15 86.6 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.191 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.93 -35.84 77.28 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' 2059 ' ' GLU . 15.2 mm-40 -65.27 -28.75 69.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.935 0.494 . . . . 0.0 112.214 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -81.57 -2.73 90.63 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.922 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 74.4 m80 56.34 80.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 125.325 1.45 . . . . 0.0 113.446 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 2061 ' ' TRP . 62.0 Cg_endo -90.49 -0.93 5.29 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.755 2.304 . . . . 0.0 111.083 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.504 ' HA ' ' OE1' ' A' 2067 ' ' GLU . 5.6 mm-40 70.13 32.81 2.85 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 124.962 1.305 . . . . 0.0 112.977 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.36 148.77 51.31 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 113.125 -1.852 . . . . 0.0 107.094 173.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.02 169.69 17.36 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 75.4 t -67.47 136.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 25.0 t70 -58.02 124.83 71.81 Favored Pre-proline 0 C--O 1.24 0.597 0 C-N-CA 122.721 0.408 . . . . 0.0 110.263 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.9 -25.41 67.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.765 2.31 . . . . 0.0 112.879 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.451 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 16.0 ttp180 -72.78 -36.2 67.58 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.833 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -36.23 78.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -42.14 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.56 91.64 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.393 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.23 -40.26 85.33 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.374 1.07 . . . . 0.0 111.037 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 58.4 ttp -61.67 -39.49 91.6 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.069 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.55 -35.65 58.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.98 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.39 -35.48 72.07 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.23 1.412 . . . . 0.0 111.416 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.31 -7.37 53.78 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.891 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . 0.567 ' HA ' ' HE ' ' A' 2082 ' ' ARG . 2.9 tpm_? -86.9 86.94 7.35 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 95.1 mttt 72.62 118.72 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.46 1.104 . . . . 0.0 111.322 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -69.39 -44.87 70.61 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 N--CA 1.433 -1.319 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.045 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -79.48 -22.58 43.87 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.733 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.703 HG13 ' HB ' ' A' 2034 ' ' THR . 68.0 t 75.29 -58.02 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 125.057 1.343 . . . . 0.0 109.048 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 31.9 t70 49.96 32.11 5.34 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.236 1.414 . . . . 0.0 111.946 172.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.508 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 82.5 mt 75.52 -22.02 0.28 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.396 -176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.703 ' HB ' HG13 ' A' 2030 ' ' VAL . 55.1 m -73.08 135.27 44.78 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.368 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -71.18 111.1 6.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.155 0.582 . . . . 0.0 109.817 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.432 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 45.3 mm -87.1 117.83 69.16 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.894 172.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -68.97 133.72 27.76 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.099 1.866 . . . . 0.0 111.157 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 14.9 m -124.79 146.32 30.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.6 tt -121.39 135.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -72.57 123.26 22.82 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.77 -23.66 64.34 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 123.357 0.663 . . . . 0.0 112.711 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 40.5 t -89.98 -59.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.457 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.22 -46.76 14.34 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.71 11.22 25.3 Favored Glycine 0 C--N 1.303 -1.284 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.003 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.2 m -62.7 114.01 3.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 59.9 tp -106.62 125.37 50.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 46.2 mt -104.28 117.55 34.47 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 28.3 m -126.53 158.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.99 -137.89 28.94 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.93 -5.61 54.16 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.088 0.47 . . . . 0.0 111.716 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.78 -23.43 42.17 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.96 0.886 . . . . 0.0 108.764 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.14 146.78 38.99 Favored Pre-proline 0 N--CA 1.428 -1.552 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 152.71 67.97 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.697 1.598 . . . . 0.0 111.834 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -69.94 147.61 49.98 Favored 'General case' 0 CA--C 1.49 -1.352 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.609 ' O ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -58.36 -28.64 65.32 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -172.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.18 81.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.647 0.26 . . . . 0.0 111.152 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.66 -16.29 20.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -55.35 -43.56 75.14 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.516 1.126 . . . . 0.0 111.72 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' 2063 ' ' GLN . 35.3 mm-40 -55.19 -56.36 20.8 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.397 0.618 . . . . 0.0 109.804 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -45.28 86.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.702 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 74.0 t90 -58.15 -51.93 67.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.275 1.03 . . . . 0.0 110.352 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.27 -32.08 69.69 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' 2059 ' ' GLU . 25.2 mm-40 -63.79 -31.39 72.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.41 -15.07 39.15 Favored Glycine 0 C--N 1.313 -0.707 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.44 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -128.38 75.22 79.39 Favored Pre-proline 0 C--N 1.311 -1.069 0 O-C-N 122.063 -0.669 . . . . 0.0 109.481 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.83 -0.0 10.08 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.726 2.284 . . . . 0.0 112.825 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.5 -5.82 59.25 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.757 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -106.74 151.9 24.53 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -133.75 155.19 50.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 4.7 p -67.8 133.78 31.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.81 119.44 33.72 Favored Pre-proline 0 C--O 1.243 0.758 0 O-C-N 123.865 0.728 . . . . 0.0 111.289 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.4 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 43.6 Cg_endo -70.12 -16.98 36.19 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.183 2.588 . . . . 0.0 113.256 -176.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -83.81 -34.27 24.74 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.16 -52.84 52.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.573 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' 2078 ' ' MET . 4.1 pp -66.85 -24.67 66.17 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.31 -23.12 67.19 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.53 -40.72 83.74 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 122.393 0.277 . . . . 0.0 111.071 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' 2075 ' ' LEU . 27.1 ptm -74.71 -29.99 61.39 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.084 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -77.7 -39.66 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.697 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.26 -29.59 42.67 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.092 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 56.07 178.81 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.365 2.266 . . . . 0.0 113.576 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.7 142.17 27.9 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -101.3 158.53 15.97 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.68 77.67 6.28 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.335 1.064 . . . . 0.0 109.389 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 C--N 1.28 -2.437 0 CA-C-N 113.802 -1.544 . . . . 0.0 107.292 178.465 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 121.442 0.639 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.28 123.21 24.92 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.579 HG13 ' HB ' ' A' 2034 ' ' THR . 42.5 t -79.89 -64.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.695 -172.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 37.0 t70 44.81 48.82 9.06 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.955 0.902 . . . . 0.0 111.904 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 96.0 mt 72.3 -39.13 0.44 Allowed 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 172.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.28 -17.16 40.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.124 0.875 . . . . 0.0 112.436 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.579 ' HB ' HG13 ' A' 2030 ' ' VAL . 57.7 m -71.73 146.03 48.41 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -92.44 122.8 35.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.9 119.08 73.69 Favored Pre-proline 0 C--N 1.301 -1.519 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.444 ' HB3' HG12 ' A' 2048 ' ' VAL . 32.6 Cg_endo -67.48 121.79 8.93 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 122.005 1.803 . . . . 0.0 110.823 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -123.03 152.03 27.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.035 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' 2045 ' ' THR . 15.1 tt -133.23 137.3 53.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.416 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' 2067 ' ' GLU . 39.3 t-20 -69.6 110.48 4.85 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -64.17 -21.57 66.61 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 69.4 t -89.85 -51.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 CA-C-O 121.05 0.452 . . . . 0.0 110.107 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.43 -40.59 23.14 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 100.21 19.33 19.18 Favored Glycine 0 N--CA 1.433 -1.517 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.813 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' 2039 ' ' ILE . 17.8 m -76.21 100.36 5.02 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.4 tp -93.03 124.88 37.32 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 86.9 mt -109.53 116.91 32.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' 2037 ' ' PRO . 27.4 m -131.29 162.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 64.55 -126.12 32.25 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 123.768 0.668 . . . . 0.0 112.658 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.84 -4.24 58.87 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.485 0.66 . . . . 0.0 111.786 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.43 -10.23 54.67 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.521 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -107.13 145.85 32.0 Favored Pre-proline 0 N--CA 1.427 -1.598 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.41 167.7 20.86 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.089 1.86 . . . . 0.0 111.06 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -70.45 156.81 38.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' A' 2032 ' ' LEU . 12.9 tpt180 -55.62 -37.02 67.63 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.052 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -64.25 -19.96 65.73 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.404 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -106.52 -32.08 8.23 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.603 0.716 . . . . 0.0 109.593 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.39 -46.29 76.56 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.676 1.59 . . . . 0.0 114.355 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.08 -48.45 78.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.37 0.605 . . . . 0.0 111.156 -173.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.78 -32.59 69.75 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.418 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 91.5 t90 -64.89 -45.38 86.19 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.36 1.064 . . . . 0.0 110.551 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.69 -33.25 64.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.881 0.872 . . . . 0.0 112.581 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.98 -31.94 73.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 120.891 0.376 . . . . 0.0 110.971 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.16 -2.85 55.83 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.362 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 75.8 m80 -133.37 77.27 66.33 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.56 -14.5 27.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.054 2.502 . . . . 0.0 115.267 -172.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' 2040 ' ' ASN . 64.3 mm-40 -91.4 2.52 56.35 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.638 -0.825 . . . . 0.0 112.528 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -99.98 124.99 45.94 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.229 0.538 . . . . 0.0 110.7 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -122.29 160.52 25.12 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 9.2 p -68.2 140.03 19.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 123.481 0.488 . . . . 0.0 111.606 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.443 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.5 t70 -63.53 133.78 95.63 Favored Pre-proline 0 C--O 1.246 0.914 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.8 178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.79 -23.1 42.15 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.211 2.607 . . . . 0.0 113.912 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.443 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 10.3 ttm180 -75.86 -37.58 58.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 79.5 t80 -64.13 -35.67 81.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.875 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.24 -33.34 75.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.447 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.2 -40.07 86.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -63.73 -32.36 73.82 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.975 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.3 tpp -63.07 -42.9 99.78 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.16 -37.62 81.21 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.121 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.97 -36.71 75.29 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.945 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -74.35 -31.71 62.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.774 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -51.38 -30.64 19.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.343 1.057 . . . . 0.0 112.221 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -127.1 116.1 20.16 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -78.32 -57.27 3.87 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.259 175.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 120.291 0.091 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.6 t70 69.13 -58.76 0.49 Allowed 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 125.628 1.571 . . . . 0.0 111.129 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 20.8 m -65.38 162.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 123.928 0.891 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -111.62 27.58 9.54 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.367 0.603 . . . . 0.0 109.881 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 94.5 mt 72.52 -34.43 0.3 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.699 1.6 . . . . 0.0 113.375 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -15.9 59.85 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.903 0.858 . . . . 0.0 110.121 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 1.1 m -65.6 116.44 6.85 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 113.836 -1.529 . . . . 0.0 111.301 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.629 ' H ' ' HD2' ' A' 2035 ' ' ARG . 0.0 OUTLIER -62.71 105.54 0.67 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.811 175.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.5 mm -76.61 120.41 81.54 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.036 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.34 133.34 32.27 Favored 'Trans proline' 0 C--O 1.25 1.108 0 C-N-CA 122.112 1.875 . . . . 0.0 111.066 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 24.5 m -125.44 154.55 34.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.053 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 13.1 tt -130.68 131.82 64.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 120.928 0.394 . . . . 0.0 110.07 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -78.35 117.3 19.45 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.08 -25.46 66.24 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -84.41 -59.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.251 0.548 . . . . 0.0 109.87 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.85 -35.45 62.36 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.671 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 96.28 -1.52 62.6 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 21.1 m -64.4 109.02 1.79 Allowed 'General case' 0 N--CA 1.428 -1.525 0 C-N-CA 123.746 0.819 . . . . 0.0 111.436 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.7 tp -95.99 127.22 41.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 89.6 mt -110.18 115.77 30.32 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 32.3 m -124.82 163.28 25.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 71.56 -151.91 48.67 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -85.21 17.26 3.11 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.41 -17.39 27.29 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -93.01 152.28 41.27 Favored Pre-proline 0 N--CA 1.438 -1.048 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.552 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.0 154.95 47.96 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.46 2.107 . . . . 0.0 113.003 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 74.9 mtt85 -71.84 151.2 43.62 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -57.31 -33.96 68.22 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 122.505 0.322 . . . . 0.0 111.257 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.96 76.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.766 0.317 . . . . 0.0 111.789 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.23 -4.49 25.65 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.43 -52.02 64.98 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.456 1.102 . . . . 0.0 112.017 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.78 -36.44 74.42 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 25.2 ttt -74.22 -41.23 61.69 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.445 0.641 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 65.2 t90 -68.46 -49.49 59.42 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.971 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.33 -32.25 72.13 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.24 -37.14 71.83 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.99 9.11 57.96 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.952 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 76.5 m80 -143.95 63.93 12.3 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 123.237 0.615 . . . . 0.0 110.113 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.47 -4.55 15.16 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.098 1.865 . . . . 0.0 113.46 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -86.37 -13.96 44.87 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -97.76 140.35 32.27 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.598 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -137.17 173.24 11.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.4 p -70.28 137.0 24.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.448 0.467 . . . . 0.0 111.207 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.469 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.7 t70 -56.7 123.73 59.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.06 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.14 -30.11 90.63 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 123.198 2.599 . . . . 0.0 112.31 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.469 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 45.4 ttt180 -68.06 -41.04 82.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.04 -36.26 82.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.2 -40.48 94.12 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.758 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.04 70.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.557 0.343 . . . . 0.0 111.156 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.07 -46.64 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.32 0.581 . . . . 0.0 109.643 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . 0.478 ' O ' ' HD3' ' A' 2081 ' ' ARG . 23.7 mmt -65.01 -38.95 92.63 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.502 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . 0.595 ' HA ' ' NH1' ' A' 2081 ' ' ARG . 16.0 mm-40 -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.671 0.788 . . . . 0.0 111.38 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 24.2 t0 -64.78 -28.08 69.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' 2079 ' ' GLU . 51.4 mmt-85 65.59 -163.56 0.25 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.064 1.346 . . . . 0.0 111.363 173.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.92 117.73 16.05 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 172.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 75.0 tttt -115.1 141.97 47.28 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.287 -171.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.75 62.9 7.17 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 122.364 1.078 . . . . 0.0 109.388 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 C--N 1.3 -1.587 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 177.037 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 18.3 t70 165.65 -40.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 103.275 -2.861 . . . . 0.0 103.275 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 42.6 t -86.84 113.03 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.788 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.43 167.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.72 18.8 3.79 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.403 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 84.3 mt 73.01 -23.33 0.21 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.987 1.315 . . . . 0.0 113.951 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -78.86 -16.5 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 13.9 t -68.37 156.87 36.93 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.233 0.539 . . . . 0.0 109.679 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -103.62 106.67 17.25 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.27 115.39 40.53 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.431 ' HG2' ' HB2' ' A' 2074 ' ' PHE . 45.0 Cg_endo -68.57 133.48 27.98 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 121.952 1.768 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -127.97 152.43 36.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.046 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.23 136.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -73.31 118.13 15.89 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -67.92 -19.77 65.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 61.5 t -88.72 -59.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.228 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.17 -44.73 29.14 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.368 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.34 5.18 37.48 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.299 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 80.7 m -58.39 115.19 2.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . 0.446 ' HG ' HG13 ' A' 2048 ' ' VAL . 67.3 tp -106.65 126.41 52.24 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.429 HD22 ' OD2' ' A' 2051 ' ' ASP . 54.6 mt -107.76 115.62 30.48 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . 0.446 HG13 ' HG ' ' A' 2046 ' ' LEU . 20.4 m -131.9 168.19 24.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 73.32 -134.09 19.04 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' 2050 ' ' GLU . 0.1 OUTLIER -85.77 -11.82 52.55 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.419 0.628 . . . . 0.0 111.021 -178.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . 0.429 ' OD2' HD22 ' A' 2047 ' ' LEU . 2.8 t70 -77.21 -25.91 52.21 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.294 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -74.03 140.75 77.36 Favored Pre-proline 0 N--CA 1.427 -1.605 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.445 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.94 144.86 89.14 Favored 'Trans proline' 0 C--O 1.24 0.608 0 C-N-CA 122.792 2.328 . . . . 0.0 113.311 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.495 ' HB3' ' HG2' ' A' 2057 ' ' GLU . 9.8 ttm180 -64.03 138.96 58.71 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -52.87 -38.33 61.45 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -62.68 -26.05 68.46 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' 2054 ' ' ARG . 12.9 pt-20 -111.41 -6.9 14.41 Favored 'General case' 0 C--O 1.208 -1.098 0 O-C-N 122.3 -0.25 . . . . 0.0 110.809 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.1 -47.38 61.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.108 1.363 . . . . 0.0 110.878 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.84 -44.27 90.93 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.395 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . 0.513 ' O ' ' HB3' ' A' 2063 ' ' GLN . 65.0 mtt -75.42 -30.73 60.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.495 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.8 t90 -69.7 -45.47 68.17 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.136 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.15 -32.25 71.97 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.073 0.549 . . . . 0.0 111.169 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' 2060 ' ' MET . 34.1 tt0 -55.18 -32.88 62.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.496 0.718 . . . . 0.0 110.257 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -104.46 -3.9 43.7 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.06 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.0 m80 -140.62 78.83 20.69 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.29 7.81 4.75 Favored 'Trans proline' 0 C--O 1.219 -0.471 0 C-N-CA 122.991 2.461 . . . . 0.0 113.229 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -101.03 4.73 42.61 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.46 0.648 . . . . 0.0 110.093 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -114.46 149.91 35.59 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.481 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -139.78 168.01 20.8 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.0 p -64.44 138.81 22.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 O-C-N 123.463 0.477 . . . . 0.0 110.844 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.465 ' OD2' ' HB2' ' A' 2073 ' ' ARG . 21.1 t0 -62.16 120.89 62.17 Favored Pre-proline 0 C--O 1.244 0.767 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.124 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.55 -22.7 67.88 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.554 2.836 . . . . 0.0 112.427 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.465 ' HB2' ' OD2' ' A' 2071 ' ' ASP . 31.1 mtp-105 -72.08 -33.57 68.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 0.0 109.809 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . 0.431 ' HB2' ' HG2' ' A' 2037 ' ' PRO . 86.5 t80 -71.59 -33.06 68.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' 2079 ' ' GLU . 80.3 mt -69.05 -33.42 73.57 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.14 70.57 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.931 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 49.7 t80 -66.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 110.004 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 52.7 tpp -68.63 -37.02 79.4 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' 2075 ' ' LEU . 10.2 mm-40 -66.66 -31.4 72.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.798 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.17 -47.53 82.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.639 176.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.36 -78.79 0.09 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.301 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 51.07 -160.99 0.08 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.434 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -127.4 67.76 1.3 Allowed 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.0 170.7 8.44 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.685 -176.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--N 1.29 -2.021 0 CA-C-O 121.322 0.582 . . . . 0.0 111.16 -177.833 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.533 0.206 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . 0.435 ' OD1' HG22 ' A' 2030 ' ' VAL . 11.6 t70 66.06 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.868 1.267 . . . . 0.0 110.175 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' 2029 ' ' ASP . 18.9 m -148.43 -171.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 108.826 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.28 15.7 0.91 Allowed 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 96.8 mt 69.1 -44.04 0.53 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.967 1.307 . . . . 0.0 113.529 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.505 ' HA ' ' HB2' ' A' 2054 ' ' ARG . 32.3 mt-10 -91.84 7.08 43.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.419 -0.8 . . . . 0.0 111.726 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 22.5 m -66.61 129.8 41.07 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' 2052 ' ' ALA . 53.3 mtt180 -84.04 102.68 12.68 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 120.743 0.306 . . . . 0.0 110.283 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.535 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.1 mm -73.89 128.4 86.7 Favored Pre-proline 0 C--N 1.311 -1.083 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -66.06 128.72 20.2 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 121.937 1.758 . . . . 0.0 110.701 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.6 m -123.82 143.09 38.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.712 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' 2068 ' ' PHE . 10.8 tt -121.51 136.84 57.12 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -78.24 114.68 17.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 173.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 33.5 t -85.32 -51.37 13.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.9 -59.71 2.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.699 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 124.22 -12.33 8.05 Favored Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.073 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 93.6 m -62.96 122.34 15.79 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 117.184 0.492 . . . . 0.0 111.689 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 66.4 tp -96.42 126.88 41.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' 2051 ' ' ASP . 48.5 mt -98.29 110.83 23.34 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.021 0.439 . . . . 0.0 109.981 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 17.4 m -129.26 175.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 71.88 -123.52 9.8 Favored Glycine 0 C--N 1.3 -1.435 0 C-N-CA 120.093 -1.051 . . . . 0.0 111.178 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -98.49 -1.44 41.26 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.615 0.721 . . . . 0.0 110.228 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . 0.446 ' HB3' HD22 ' A' 2047 ' ' LEU . 3.8 m-20 -80.65 -28.09 36.97 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.213 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.485 ' O ' ' HD3' ' A' 2035 ' ' ARG . . . -82.46 134.76 47.62 Favored Pre-proline 0 C--N 1.299 -1.595 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.502 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -81.02 162.1 20.66 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 122.481 2.121 . . . . 0.0 112.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.505 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 38.0 ptt180 -74.88 146.41 41.91 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.535 ' HD3' HG13 ' A' 2036 ' ' ILE . 16.1 tpt180 -49.72 -37.41 29.17 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 124.428 1.091 . . . . 0.0 112.148 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 122.984 0.513 . . . . 0.0 112.041 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.83 -21.37 18.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.13 -46.09 33.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.075 1.75 . . . . 0.0 112.906 -174.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' 2063 ' ' GLN . 11.5 mm-40 -54.5 -57.5 11.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.222 0.534 . . . . 0.0 111.509 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 67.2 mtt -67.93 -35.87 79.18 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.395 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 81.5 t90 -64.92 -41.92 95.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.909 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.22 -32.65 74.31 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 2059 ' ' GLU . 51.5 mt-30 -64.32 -37.46 87.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.223 0.535 . . . . 0.0 109.894 176.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.82 -14.57 82.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 115.674 -0.693 . . . . 0.0 113.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -139.06 86.24 15.11 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 122.821 0.448 . . . . 0.0 110.831 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -69.82 -8.94 24.86 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.379 2.052 . . . . 0.0 111.434 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.01 -41.79 97.36 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.346 1.058 . . . . 0.0 108.986 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' 2039 ' ' ILE . 77.1 m-85 -95.68 142.87 27.48 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.568 -175.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.21 168.63 19.35 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -63.87 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 O-C-N 123.551 0.532 . . . . 0.0 109.757 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 13.4 t70 -58.4 120.3 43.2 Favored Pre-proline 0 C--O 1.247 0.932 0 O-C-N 123.711 0.632 . . . . 0.0 112.396 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 24.2 Cg_exo -64.06 -21.94 67.95 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.161 2.574 . . . . 0.0 112.624 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.573 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 55.3 ttt180 -70.57 -51.41 28.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.7 t80 -52.92 -43.86 66.56 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 123.671 0.788 . . . . 0.0 110.878 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.71 -50.44 73.88 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.929 0.395 . . . . 0.0 111.364 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.89 76.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.936 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -69.92 -44.46 69.6 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.515 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 55.6 ttp -58.71 -39.9 82.15 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.214 0.605 . . . . 0.0 111.571 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.28 -33.1 55.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.93 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.18 -35.31 73.88 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -55.06 -54.84 37.89 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.664 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -94.75 77.82 3.7 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.167 0.984 . . . . 0.0 110.761 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -165.6 138.74 4.37 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -72.63 -60.7 2.1 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.928 0.394 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.441 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . 0.444 ' OD1' HG22 ' A' 2030 ' ' VAL . 6.2 t70 66.21 -163.99 0.24 Allowed 'General case' 0 C--O 1.244 0.799 0 CA-C-N 113.071 -1.877 . . . . 0.0 109.308 177.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.52 ' HB ' ' OG1' ' A' 2034 ' ' THR . 34.3 m -96.67 -179.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 CA-C-O 120.947 0.403 . . . . 0.0 111.104 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.39 25.65 4.29 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.108 0.48 . . . . 0.0 111.426 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 91.7 mt 69.89 -39.77 0.44 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.506 1.523 . . . . 0.0 114.534 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.31 -9.88 59.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.588 0.708 . . . . 0.0 110.377 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.52 ' OG1' ' HB ' ' A' 2030 ' ' VAL . 0.2 OUTLIER -66.77 147.84 52.72 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.66 177.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 2049 ' ' GLY . 0.0 OUTLIER -103.24 124.09 47.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.471 178.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.497 HG13 ' HD3' ' A' 2055 ' ' ARG . 51.4 mm -87.87 128.5 53.92 Favored Pre-proline 0 C--N 1.296 -1.757 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.09 124.61 12.85 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 122.058 1.838 . . . . 0.0 110.409 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 26.6 m -118.69 150.55 20.93 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.3 tt -132.68 136.13 56.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-O 121.132 0.492 . . . . 0.0 110.893 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -79.23 120.26 23.47 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.68 -30.14 64.0 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.97 0.414 . . . . 0.0 111.913 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 43.9 t -78.0 -54.01 13.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.9 -34.42 22.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 92.56 12.43 58.28 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 8.6 m -70.95 113.52 8.08 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 114.967 -0.617 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.8 tp -100.6 123.25 44.56 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.22 114.59 28.87 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 30.3 m -126.93 168.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.841 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . 0.536 ' O ' ' HG3' ' A' 2035 ' ' ARG . . . 73.64 -147.99 39.49 Favored Glycine 0 N--CA 1.43 -1.761 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.65 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.75 8.37 20.11 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.053 0.454 . . . . 0.0 111.696 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.14 -12.5 26.32 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.952 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -88.88 150.39 45.49 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.856 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.07 143.06 58.35 Favored 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.359 2.039 . . . . 0.0 112.696 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' 2057 ' ' GLU . 79.0 ttt180 -69.8 140.1 53.28 Favored 'General case' 0 N--CA 1.427 -1.598 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.497 ' HD3' HG13 ' A' 2036 ' ' ILE . 12.5 tpt180 -54.77 -32.52 60.12 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.56 0.618 . . . . 0.0 112.506 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.9 -28.97 69.3 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' 2054 ' ' ARG . 15.1 pt-20 -104.92 -7.38 19.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.904 -0.497 . . . . 0.0 110.173 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -52.41 -45.57 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 113.393 -170.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.32 -52.59 57.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.49 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 13.3 mmt -63.68 -33.17 75.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.944 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.58 -50.93 65.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.682 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.47 -32.99 71.94 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.26 -31.13 71.66 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.901 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -94.2 -11.14 57.75 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -128.51 79.78 73.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -69.88 -21.1 33.41 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 113.069 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.25 -17.51 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.662 0.744 . . . . 0.0 109.448 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -99.79 153.09 19.4 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.117 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -148.25 171.85 15.3 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 3.2 p -75.6 141.99 15.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.578 ' OD1' ' HB3' ' A' 2073 ' ' ARG . 12.2 t70 -51.29 118.1 10.21 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 110.559 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -65.26 -26.61 56.44 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.885 2.39 . . . . 0.0 112.631 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.578 ' HB3' ' OD1' ' A' 2071 ' ' ASP . 10.6 ttp180 -72.12 -39.7 68.66 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.983 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' 2077 ' ' TYR . 69.9 t80 -66.24 -32.17 73.43 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.2 -38.71 88.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.389 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -68.92 -35.64 77.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.722 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' 2074 ' ' PHE . 56.2 t80 -55.93 -35.49 66.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.08 0.952 . . . . 0.0 110.385 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.69 -42.09 99.45 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.729 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.59 -40.58 56.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.905 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -68.18 -38.13 81.7 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.883 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 71.35 -62.86 0.44 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.19 1.396 . . . . 0.0 109.887 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -115.71 84.77 2.16 Favored 'General case' 0 N--CA 1.426 -1.625 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 56.8 tttp -95.65 -20.64 18.77 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.905 -173.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.17 131.58 35.31 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 56.8 mtpt . . . . . 0 C--O 1.238 0.491 0 O-C-N 124.637 1.211 . . . . 0.0 112.489 179.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 C--O 1.24 0.555 0 CA-C-O 121.712 0.768 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -118.47 154.14 32.98 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.071 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 29.7 m -100.57 10.07 7.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 122.85 0.46 . . . . 0.0 112.209 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 71.12 11.32 6.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.26 1.024 . . . . 0.0 112.201 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' 2055 ' ' ARG . 82.0 mt 68.27 -10.46 0.44 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.209 1.404 . . . . 0.0 114.119 176.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.33 12.54 5.27 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -172.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 7.2 t -117.63 173.74 6.56 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -111.13 119.4 38.87 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' 2055 ' ' ARG . 50.4 mm -94.46 125.58 51.34 Favored Pre-proline 0 C--N 1.306 -1.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.856 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.28 135.62 43.88 Favored 'Trans proline' 0 N--CA 1.446 -1.315 0 C-N-CA 121.926 1.751 . . . . 0.0 110.883 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 18.4 m -125.89 157.52 35.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.871 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 14.0 tt -131.78 137.11 55.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -80.29 118.2 21.74 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -74.13 -21.78 59.73 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 47.4 t -87.25 -50.9 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -83.92 -58.06 2.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 0.0 111.479 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 123.55 -6.2 9.16 Favored Glycine 0 C--N 1.306 -1.085 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.829 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -53.25 119.0 4.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.375 0.67 . . . . 0.0 110.659 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.06 122.76 45.95 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' 2051 ' ' ASP . 86.7 mt -104.88 118.22 35.99 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.0 m -129.71 157.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.95 -119.39 6.81 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.43 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -89.67 -9.65 48.76 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 121.462 0.648 . . . . 0.0 110.797 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . 0.409 ' HB3' HD22 ' A' 2047 ' ' LEU . 16.2 m-20 -82.08 -18.2 43.91 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.272 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -95.98 131.2 29.48 Favored Pre-proline 0 N--CA 1.416 -2.131 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.257 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 16.8 Cg_exo -68.61 161.23 46.09 Favored 'Trans proline' 0 C--O 1.251 1.158 0 C-N-CA 122.472 2.115 . . . . 0.0 113.856 -177.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' 2057 ' ' GLU . 23.2 tpp180 -65.37 137.77 57.72 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.169 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.487 HH12 ' HB2' ' A' 2059 ' ' GLU . 40.4 tpt85 -58.02 -32.56 68.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.352 0.523 . . . . 0.0 111.531 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.468 ' H ' ' HG3' ' A' 2054 ' ' ARG . . . -62.6 -29.06 70.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 111.841 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.3 pt-20 -103.87 -12.2 17.04 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.356 0.598 . . . . 0.0 110.775 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.58 -41.89 95.97 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -167.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.487 ' HB2' HH12 ' A' 2055 ' ' ARG . 39.7 tt0 -64.22 -51.38 63.96 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.085 0.469 . . . . 0.0 111.121 -171.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 1.7 mpt? -64.92 -27.94 69.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.144 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 73.7 t90 -70.24 -48.59 56.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.019 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.2 -35.71 81.69 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.161 0.505 . . . . 0.0 111.209 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -64.15 -32.08 73.51 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 123.756 0.822 . . . . 0.0 110.703 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -97.46 3.84 61.63 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.514 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 66.7 m80 -144.68 84.09 9.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.42 -9.66 26.8 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.758 2.306 . . . . 0.0 112.902 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.85 -29.91 66.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -102.76 140.22 37.31 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.66 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -138.98 164.79 28.81 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.5 p -64.18 140.55 19.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 O-C-N 123.548 0.53 . . . . 0.0 110.315 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.51 118.33 21.72 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 123.05 0.54 . . . . 0.0 111.847 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.58 -20.53 40.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.979 2.453 . . . . 0.0 112.069 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.408 ' HE ' ' HB3' ' A' 2073 ' ' ARG . 27.1 ttp180 -70.58 -42.31 71.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 91.4 t80 -65.66 -43.41 89.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.172 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.83 -45.66 89.49 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.891 0.377 . . . . 0.0 110.706 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.24 95.98 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.273 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -61.66 -37.13 82.93 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.438 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.06 -45.73 90.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.859 0.362 . . . . 0.0 110.295 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.51 -52.2 28.64 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.915 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.26 -50.26 34.62 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 124.15 0.98 . . . . 0.0 113.25 -174.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 63.25 88.67 0.09 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.357 1.063 . . . . 0.0 113.476 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.69 86.68 5.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -126.49 94.83 4.17 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 65.19 92.43 0.07 Allowed 'General case' 0 C--O 1.245 0.819 0 C-N-CA 124.821 1.248 . . . . 0.0 112.938 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 173.614 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 N--CA 1.429 -1.514 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.73 145.01 56.57 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.554 ' HA ' ' HB ' ' A' 2034 ' ' THR . 46.2 t -58.66 -54.4 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 O-C-N 123.635 0.584 . . . . 0.0 111.281 -174.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 20.8 t70 43.24 37.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.267 1.427 . . . . 0.0 112.353 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 64.8 mt 71.56 -27.7 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.61 -17.24 27.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' 2030 ' ' VAL . 18.6 m -69.08 140.64 54.84 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.832 176.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' 2035 ' ' ARG . 0.8 OUTLIER -86.05 110.1 19.27 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.479 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.548 HG13 ' HD3' ' A' 2055 ' ' ARG . 48.7 mm -78.39 122.69 85.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.36 131.92 31.79 Favored 'Trans proline' 0 C--O 1.25 1.092 0 C-N-CA 122.541 2.161 . . . . 0.0 111.426 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 17.7 m -128.35 152.35 36.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.484 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' 2040 ' ' ASN . 11.7 tt -132.26 156.86 42.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . 0.451 ' N ' HG12 ' A' 2039 ' ' ILE . 1.1 m120 -51.45 142.57 13.48 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.537 0.735 . . . . 0.0 112.507 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' 2066 ' ' PRO . 7.5 mmmm -71.23 -17.11 62.51 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.78 170.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 32.1 t -86.06 -20.92 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 75.78 90.46 0.08 Allowed 'General case' 0 CA--C 1.466 -2.258 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.628 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -171.9 -69.32 0.04 OUTLIER Glycine 0 N--CA 1.404 -3.469 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.404 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . 0.407 ' HB ' ' OD1' ' A' 2040 ' ' ASN . 84.3 m -73.24 107.09 5.37 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.987 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 61.6 tp -105.18 130.35 53.36 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.39 109.59 18.56 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 27.7 m -119.45 164.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 72.0 -132.45 19.35 Favored Glycine 0 N--CA 1.421 -2.308 0 C-N-CA 120.498 -0.858 . . . . 0.0 110.962 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.42 5.34 51.92 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.374 0.607 . . . . 0.0 110.846 -174.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -81.67 -28.49 33.53 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' 2036 ' ' ILE . . . -84.18 152.29 61.39 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.555 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.65 159.76 12.36 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.669 2.246 . . . . 0.0 113.58 -176.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' 2057 ' ' GLU . 67.5 mtm180 -64.35 141.21 58.85 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.548 ' HD3' HG13 ' A' 2036 ' ' ILE . 46.2 tpt85 -49.23 -36.23 19.53 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.213 1.005 . . . . 0.0 113.364 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.83 78.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 2054 ' ' ARG . 16.1 pt-20 -86.38 -23.58 26.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 109.935 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.23 -42.52 40.81 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.451 1.901 . . . . 0.0 112.442 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.83 -46.44 85.03 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.001 0.905 . . . . 0.0 109.767 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.84 -36.15 75.34 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.737 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 80.0 t90 -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.255 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.17 -32.99 74.77 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.55 0.34 . . . . 0.0 111.377 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.26 -46.43 90.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.78 -20.22 79.58 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.102 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 69.2 m80 -136.18 81.22 38.76 Favored Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 117.226 0.513 . . . . 0.0 110.361 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . 0.426 ' O ' ' HG3' ' A' 2041 ' ' LYS . 57.3 Cg_endo -74.88 3.37 5.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.93 2.42 . . . . 0.0 113.189 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.64 8.66 30.33 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.145 0.498 . . . . 0.0 110.43 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.03 152.98 47.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.468 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.415 ' HB2' ' HD3' ' A' 2041 ' ' LYS . . . -150.1 168.44 23.91 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.97 142.38 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.657 0.598 . . . . 0.0 111.727 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 10.7 t70 -64.08 128.83 93.52 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.608 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 32.5 Cg_exo -61.34 -30.16 87.12 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.237 2.625 . . . . 0.0 113.574 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.455 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 70.4 ttt180 -68.9 -43.94 74.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 92.1 t80 -55.89 -48.24 75.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.131 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' A' 2072 ' ' PRO . 4.1 pp -73.01 -24.91 60.81 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -64.04 -32.17 73.63 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.004 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -69.3 -32.2 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.742 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 64.4 mtt -73.54 -32.22 64.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.109 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' 2082 ' ' ARG . 15.5 tp10 -70.04 -36.97 75.42 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.774 0.797 . . . . 0.0 108.926 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.99 -27.31 64.6 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.54 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -90.55 9.87 27.72 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.682 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' 2079 ' ' GLU . 5.3 ptp180 -124.36 162.76 23.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . 0.494 ' HG2' ' H ' ' A' 2084 ' ' GLN . 23.1 ttmm 63.79 -179.43 0.16 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.425 0.69 . . . . 0.0 109.532 178.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . 0.494 ' H ' ' HG2' ' A' 2083 ' ' LYS . 23.9 mp0 -92.45 103.28 15.72 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--N 1.302 -1.462 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.756 -178.333 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.237 0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 3.9 t0 68.15 114.63 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.037 1.735 . . . . 0.0 110.21 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' 2034 ' ' THR . 34.7 m -125.72 1.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -174.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 13.6 t70 60.9 22.24 12.39 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.388 1.089 . . . . 0.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 86.4 mt 68.87 -24.55 0.14 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.44 -16.17 49.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.024 -1.07 . . . . 0.0 113.503 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.565 ' HB ' ' HB ' ' A' 2030 ' ' VAL . 31.8 m -66.05 136.47 56.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' 2035 ' ' ARG . 5.9 mpt_? -87.61 123.27 32.3 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.404 HG13 ' HD3' ' A' 2055 ' ' ARG . 49.5 mm -81.24 125.04 80.23 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.015 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.92 116.12 3.25 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.312 2.008 . . . . 0.0 111.566 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -112.69 142.04 26.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.449 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.412 ' HB ' HD13 ' A' 2046 ' ' LEU . 13.5 tt -126.33 137.69 56.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-O 121.303 0.573 . . . . 0.0 111.518 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -71.31 113.5 8.4 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.13 -15.55 61.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 50.1 t -85.53 -56.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.52 -59.43 2.32 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.745 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 127.8 -2.07 6.9 Favored Glycine 0 C--N 1.305 -1.192 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.585 -173.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 51.3 m -57.63 110.58 0.91 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.099 0.56 . . . . 0.0 111.121 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . 0.412 HD13 ' HB ' ' A' 2039 ' ' ILE . 58.2 tp -99.68 128.82 45.77 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 50.1 mt -102.4 128.91 48.79 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 21.0 m -137.63 161.65 33.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.15 -125.74 27.58 Favored Glycine 0 N--CA 1.438 -1.206 0 O-C-N 123.673 0.608 . . . . 0.0 111.94 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.15 -2.85 58.92 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.732 0.777 . . . . 0.0 110.759 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.56 -11.2 37.97 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.938 0.875 . . . . 0.0 108.936 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -101.74 152.02 38.03 Favored Pre-proline 0 N--CA 1.427 -1.578 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -81.65 142.45 12.88 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 121.95 1.766 . . . . 0.0 112.125 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.99 141.75 53.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.417 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 16.6 tpt85 -51.44 -33.66 31.73 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -62.01 -40.23 94.97 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.177 0.591 . . . . 0.0 112.249 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -96.55 -21.28 17.77 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 2.9 tm? -54.78 -34.48 62.71 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.125 1.77 . . . . 0.0 112.41 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' 2063 ' ' GLN . 9.3 tp10 -59.66 -49.45 77.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.307 0.38 . . . . 0.0 109.976 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.38 -45.97 72.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.857 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -67.03 -44.3 80.61 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.271 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . 0.276 35.1 mt -67.58 -30.38 69.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 176.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' 2059 ' ' GLU . 29.6 mm-40 -54.83 -39.19 68.29 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -79.92 -33.34 33.66 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.522 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . 0.269 39.3 p-80 37.67 85.09 0.17 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 125.402 1.481 . . . . 0.0 114.45 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.39 -61.57 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.117 1.878 . . . . 0.0 112.255 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.96 24.56 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 122.442 1.115 . . . . 0.0 108.415 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.73 150.99 39.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.919 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -140.97 171.61 13.83 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 65.7 t -71.24 137.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.62 119.09 22.5 Favored Pre-proline 0 C--O 1.245 0.848 0 C-N-CA 123.771 0.828 . . . . 0.0 111.853 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.423 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 52.6 Cg_exo -58.0 -30.69 90.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 123.546 2.831 . . . . 0.0 112.812 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.23 77.2 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 94.0 t80 -62.79 -48.41 79.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.006 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' A' 2078 ' ' MET 0.267 4.3 pp -69.07 -23.4 64.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -73.48 -36.24 65.78 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.77 -35.99 79.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.436 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' 2075 ' ' LEU . 28.0 ptm -57.14 -46.8 82.39 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -79.1 -29.51 43.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.27 -28.44 66.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.243 0.544 . . . . 0.0 110.655 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -70.23 98.89 1.43 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -150.27 165.48 32.87 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -169.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 130.26 42.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.921 0.328 . . . . 0.0 110.234 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -86.96 171.52 10.72 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.499 0.72 . . . . 0.0 109.232 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--N 1.321 -0.663 0 CA-C-O 121.456 0.646 . . . . 0.0 110.872 -178.674 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' 2077 ' ' TYR . 15.8 tp . . . . . 0 N--CA 1.436 -1.146 0 CA-C-O 121.36 0.6 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.25 96.4 7.86 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 167.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.563 HG22 ' HB ' ' A' 2034 ' ' THR . 41.8 t -88.53 123.29 40.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 113.749 -1.568 . . . . 0.0 113.688 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -75.1 -53.11 9.43 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 169.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' 2055 ' ' ARG . 3.6 pp 178.28 -14.9 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.091 -1.868 . . . . 0.0 114.381 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -87.45 -17.67 31.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.892 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.563 ' HB ' HG22 ' A' 2030 ' ' VAL . 23.9 m -79.85 149.89 30.83 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.529 -177.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' 2035 ' ' ARG . 9.4 mpt_? -84.15 117.5 23.52 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.5 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.478 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 49.9 mm -82.85 122.35 78.08 Favored Pre-proline 0 C--N 1.307 -1.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.766 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.553 ' HA ' ' O ' ' A' 2047 ' ' LEU . 29.2 Cg_endo -66.77 123.86 11.58 Favored 'Trans proline' 0 N--CA 1.437 -1.845 0 C-N-CA 121.547 1.498 . . . . 0.0 110.121 175.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . 0.409 HG11 HD21 ' A' 2058 ' ' LEU . 13.4 m -124.02 148.01 28.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.592 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' 2068 ' ' PHE . 15.1 tt -115.88 134.91 57.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.44 121.63 23.36 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 68.8 mttt -61.96 -38.96 90.46 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 123.774 0.671 . . . . 0.0 110.934 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 45.8 t -73.08 -56.58 9.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.878 -172.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.72 -42.58 12.53 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 109.18 3.5 31.32 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.188 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 5.7 m -57.39 117.15 3.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.609 0.764 . . . . 0.0 109.677 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 47.4 tp -107.16 121.49 44.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' 2037 ' ' PRO . 72.1 mt -98.26 116.67 30.96 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' 2037 ' ' PRO . 35.9 m -129.88 163.17 36.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 O-C-N 123.326 0.392 . . . . 0.0 110.176 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.63 -101.42 0.4 Allowed Glycine 0 CA--C 1.516 0.155 0 O-C-N 123.755 0.659 . . . . 0.0 114.449 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.35 -14.0 22.85 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.054 0.454 . . . . 0.0 112.136 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.36 -10.4 32.74 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 111.162 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -90.1 143.56 29.98 Favored Pre-proline 0 C--N 1.3 -1.582 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 5.9 Cg_exo -83.06 149.24 13.58 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 122.264 1.976 . . . . 0.0 113.388 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.481 ' HB3' ' OE1' ' A' 2057 ' ' GLU . 37.2 ttm105 -64.74 131.08 45.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.647 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 79.9 ttt180 -49.68 -38.16 31.62 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -58.63 -26.43 63.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.478 0.711 . . . . 0.0 112.028 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' 2054 ' ' ARG . 26.6 mt-10 -100.74 -38.04 8.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.226 1.012 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -48.33 -46.74 36.86 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 126.855 2.062 . . . . 0.0 113.381 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 2063 ' ' GLN . 8.0 pt-20 -61.04 -43.3 99.09 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.534 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 63.6 mtt -70.77 -36.42 73.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.37 0.605 . . . . 0.0 109.405 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.36 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.88 -33.2 74.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.794 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' 2059 ' ' GLU . 24.2 mm-40 -63.18 -27.81 69.62 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -77.23 -8.32 86.96 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.304 176.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 82.55 0.23 Allowed Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 125.33 1.452 . . . . 0.0 113.479 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -90.92 5.59 4.04 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.348 2.032 . . . . 0.0 111.085 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 72.15 35.33 1.27 Allowed 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 124.898 1.279 . . . . 0.0 111.772 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' 2039 ' ' ILE . 38.1 m-85 -111.92 139.78 47.13 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.68 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -120.42 162.25 19.84 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 60.1 t -74.57 132.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.468 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 7.8 t70 -51.77 121.02 17.32 Favored Pre-proline 0 C--O 1.251 1.183 0 C-N-CA 123.656 0.783 . . . . 0.0 112.331 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.421 ' HA ' ' HG ' ' A' 2075 ' ' LEU . 20.8 Cg_endo -62.73 -30.08 77.87 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.053 2.502 . . . . 0.0 112.001 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.468 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 11.4 ttp180 -63.29 -51.53 65.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.86 -52.53 56.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.105 0.962 . . . . 0.0 111.194 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' 2072 ' ' PRO . 4.4 pp -68.52 -29.78 68.44 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -74.81 -35.31 62.47 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.79 0.328 . . . . 0.0 110.993 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . 0.46 ' CD2' HD23 ' A' 2028 ' ' LEU . 68.6 t80 -68.99 -47.28 65.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.814 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 25.3 ttt -60.62 -28.64 68.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.661 0.743 . . . . 0.0 110.022 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.62 -30.47 65.82 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.918 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.48 -47.58 75.92 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -76.3 133.32 40.06 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -54.59 116.83 2.9 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 123.921 0.763 . . . . 0.0 112.922 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -69.74 -50.85 39.44 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -81.6 88.13 6.23 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.424 -1.763 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.764 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.78 -33.24 68.33 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.716 1.606 . . . . 0.0 113.553 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.488 ' CG1' ' HB ' ' A' 2034 ' ' THR . 92.6 t -66.32 -16.74 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 CA-C-O 122.09 0.948 . . . . 0.0 109.691 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.3 t70 61.41 5.58 1.21 Allowed 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 126.14 1.776 . . . . 0.0 112.824 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 58.0 mt 73.2 -15.13 0.56 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.967 1.707 . . . . 0.0 113.589 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.91 -17.19 28.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.132 0.491 . . . . 0.0 111.447 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.488 ' HB ' ' CG1' ' A' 2030 ' ' VAL . 20.7 m -71.5 132.3 44.53 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 53.1 mtt180 -79.65 111.92 16.41 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.145 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.54 116.84 66.07 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.005 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.421 ' HB3' HG12 ' A' 2048 ' ' VAL . 7.4 Cg_exo -72.66 124.63 9.91 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 C-N-CA 121.856 1.704 . . . . 0.0 109.293 174.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 15.5 m -114.97 144.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.533 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.422 ' HB ' HD13 ' A' 2046 ' ' LEU . 13.3 tt -123.37 128.43 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.097 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.25 127.49 33.1 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -64.32 -36.68 84.92 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 52.5 t -86.27 -59.05 2.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.307 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.35 -48.41 23.19 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 122.917 0.487 . . . . 0.0 111.823 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 106.56 10.8 28.34 Favored Glycine 0 C--N 1.306 -1.091 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' 2039 ' ' ILE . 2.8 m -58.81 110.43 1.01 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.581 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' 2039 ' ' ILE . 60.1 tp -106.74 121.6 44.7 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.334 0.588 . . . . 0.0 110.377 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 81.9 mt -107.37 115.44 30.17 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' 2037 ' ' PRO . 31.0 m -124.56 153.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 55.54 -110.69 1.96 Allowed Glycine 0 C--O 1.224 -0.472 0 O-C-N 124.161 0.913 . . . . 0.0 114.571 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.03 -39.86 83.28 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 123.922 0.889 . . . . 0.0 112.442 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.68 1.65 57.15 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.382 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -102.9 122.69 44.79 Favored Pre-proline 0 N--CA 1.43 -1.425 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -73.51 154.8 50.4 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 121.617 1.545 . . . . 0.0 112.246 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 0.7 OUTLIER -65.24 146.85 54.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.546 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 22.6 tpt180 -49.21 -36.17 19.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.26 91.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.93 0.395 . . . . 0.0 111.211 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.18 -33.29 20.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.481 0.658 . . . . 0.0 110.392 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -61.04 -33.05 72.68 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 111.545 -177.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.71 -53.95 52.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.511 0.672 . . . . 0.0 110.401 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 96.9 mmm -66.7 -27.56 67.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.055 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 77.2 t90 -71.66 -48.52 47.11 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.556 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.24 -31.75 70.49 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 122.807 0.443 . . . . 0.0 111.383 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -55.83 -36.28 67.32 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.818 176.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -85.07 -24.38 44.82 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.912 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -142.59 86.38 9.77 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.966 0.413 . . . . 0.0 111.312 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -79.12 11.93 2.45 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 112.245 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.15 -1.2 57.21 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.702 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -104.55 136.1 44.72 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.089 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -112.59 172.84 6.68 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -86.77 140.8 15.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' 2072 ' ' PRO . 22.9 t70 -60.52 123.15 72.54 Favored Pre-proline 0 C--O 1.245 0.835 0 O-C-N 123.262 0.351 . . . . 0.0 111.582 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 29.7 Cg_exo -63.97 -24.12 67.44 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.15 2.567 . . . . 0.0 113.701 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -78.76 -32.71 46.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.21 -36.14 83.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.1 -42.03 94.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.961 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . 0.625 ' HA ' ' OE1' ' A' 2079 ' ' GLU . . . -64.21 -20.99 66.4 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 121.516 0.674 . . . . 0.0 111.736 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.17 -31.73 70.56 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.531 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.5 mmt -69.76 -25.95 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . 0.625 ' OE1' ' HA ' ' A' 2076 ' ' ALA . 1.2 mp0 -66.29 -50.29 64.16 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.659 0.742 . . . . 0.0 109.766 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -49.5 73.31 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 113.726 -1.579 . . . . 0.0 108.408 177.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' 2078 ' ' MET . 20.0 ttm180 63.41 -68.85 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 127.676 2.391 . . . . 0.0 113.63 174.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -133.87 85.87 2.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.743 0.782 . . . . 0.0 111.759 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -158.48 -51.3 0.06 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 68.59 109.82 0.05 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.159 1.384 . . . . 0.0 113.473 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 121.928 0.871 . . . . 0.0 109.017 176.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.44 -44.94 95.29 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.968 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' 2034 ' ' THR . 2.4 p -112.19 126.3 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.775 0 CA-C-N 113.007 -1.906 . . . . 0.0 107.298 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.03 -33.87 59.65 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.541 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' A' 2056 ' ' ALA . 3.2 pp -170.17 -20.17 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.25 11.2 1.0 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -172.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' 2030 ' ' VAL . 7.5 t -134.5 169.28 17.5 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.122 -0.986 . . . . 0.0 109.249 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -93.31 131.83 38.08 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.32 112.84 57.18 Favored Pre-proline 0 C--N 1.3 -1.555 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.56 ' HB3' HG12 ' A' 2048 ' ' VAL . 48.5 Cg_endo -70.4 120.76 7.39 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.504 1.469 . . . . 0.0 110.271 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.8 m -117.56 154.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.526 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.5 tt -127.67 131.52 69.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.1 129.67 40.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -69.58 -25.62 64.07 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 44.9 t -91.95 -48.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-O 121.052 0.453 . . . . 0.0 111.631 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -91.96 -33.06 15.01 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 94.64 15.2 47.36 Favored Glycine 0 C--N 1.305 -1.153 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.8 m -65.11 107.93 1.69 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 110.564 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . 0.842 HD11 HG13 ' A' 2048 ' ' VAL . 1.8 tm? -91.02 139.63 30.59 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' 2052 ' ' ALA . 76.5 mt -126.07 104.36 8.22 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.548 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . 0.842 HG13 HD11 ' A' 2046 ' ' LEU . 8.2 m -111.19 170.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 171.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 62.43 -132.91 44.95 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.351 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.77 -3.75 57.02 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.66 -24.04 45.4 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' 2047 ' ' LEU . . . -86.37 144.69 38.5 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.37 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.16 158.4 45.37 Favored 'Trans proline' 0 C--O 1.255 1.339 0 C-N-CA 122.166 1.911 . . . . 0.0 111.539 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -73.58 146.7 44.52 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.445 ' HA ' ' HB2' ' A' 2058 ' ' LEU . 10.0 tpt180 -59.4 -31.84 69.62 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 123.373 0.42 . . . . 0.0 110.794 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' 2032 ' ' LEU . . . -52.77 -36.86 58.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.197 0.599 . . . . 0.0 112.21 176.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -117.18 9.74 13.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.778 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.2 tm? -58.73 -57.4 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.854 0.462 . . . . 0.0 112.065 -173.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.94 -31.38 70.23 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.976 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 26.6 mmt -66.79 -35.55 80.35 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.641 0.734 . . . . 0.0 109.822 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 52.6 t90 -71.36 -46.33 60.72 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.026 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.81 -32.33 73.51 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.598 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.51 -29.79 68.12 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.733 0.813 . . . . 0.0 110.476 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -99.7 -16.11 29.77 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.562 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 5.6 t60 -151.84 87.65 4.34 Favored Pre-proline 0 C--N 1.31 -1.117 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -84.33 15.17 2.24 Favored 'Trans proline' 0 N--CA 1.481 0.75 0 C-N-CA 123.474 2.783 . . . . 0.0 113.667 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.14 6.76 27.75 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.935 0.398 . . . . 0.0 111.911 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.55 142.87 45.44 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.88 0.372 . . . . 0.0 111.018 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -117.52 167.32 11.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 8.1 p -83.77 143.26 12.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.14 129.77 88.73 Favored Pre-proline 0 C--O 1.245 0.841 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.001 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.56 -29.17 84.11 Favored 'Trans proline' 0 C--O 1.243 0.757 0 C-N-CA 123.299 2.666 . . . . 0.0 114.051 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.14 -21.3 43.31 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.001 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -71.31 -32.16 68.27 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 174.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' 2079 ' ' GLU . 92.3 mt -64.67 -36.17 83.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.263 174.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.73 85.88 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.145 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.928 0.491 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 1.6 tmt? -66.6 -38.02 86.13 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.346 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' 2075 ' ' LEU . 35.5 mt-10 -73.14 -51.4 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.809 0.814 . . . . 0.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . 0.538 ' O ' ' HD3' ' A' 2083 ' ' LYS . 24.2 t70 -61.58 -32.37 72.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 114.179 -1.373 . . . . 0.0 112.331 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 70.56 -73.31 0.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.425 1.09 . . . . 0.0 108.809 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -170.7 22.77 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' 2080 ' ' ASP . 1.1 mptm? -77.61 -70.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -172.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -147.78 118.1 7.37 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.631 0.729 . . . . 0.0 112.322 -171.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--N 1.316 -0.868 0 CA-C-O 121.819 0.818 . . . . 0.0 110.199 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -142.75 -45.82 0.31 Allowed 'General case' 0 C--N 1.309 -1.183 0 O-C-N 122.007 -0.433 . . . . 0.0 111.138 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 88.6 t -135.76 153.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.112 -1.811 . . . . 0.0 106.112 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.07 37.51 3.12 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.325 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' 2056 ' ' ALA . 96.6 mt 68.05 -52.83 0.53 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 175.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.5 -10.43 59.55 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.37 0.605 . . . . 0.0 111.624 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 34.6 m -59.31 130.68 48.14 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 124.815 1.246 . . . . 0.0 110.015 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -85.84 95.51 9.46 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.46 HG13 ' HD3' ' A' 2055 ' ' ARG . 45.9 mm -74.56 122.95 88.66 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.095 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.428 ' HB3' HG12 ' A' 2048 ' ' VAL . 3.9 Cg_exo -68.15 139.87 47.67 Favored 'Trans proline' 0 C--O 1.245 0.863 0 C-N-CA 122.48 2.12 . . . . 0.0 111.947 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 20.7 m -126.12 154.49 35.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.206 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.446 HG12 ' N ' ' A' 2040 ' ' ASN . 11.8 tt -139.52 157.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' 2067 ' ' GLU . 1.1 m120 -55.51 140.81 39.28 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 167.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . 0.519 ' HE3' ' HB2' ' A' 2069 ' ' ALA . 45.7 mttp -74.46 -13.4 60.7 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.991 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.6 t -76.55 -19.83 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 73.0 89.17 0.09 Allowed 'General case' 0 CA--C 1.458 -2.559 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.257 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . -165.18 -67.44 0.02 OUTLIER Glycine 0 N--CA 1.401 -3.636 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 85.9 m -73.68 100.97 3.51 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.889 -0.655 . . . . 0.0 110.329 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 58.8 tp -97.68 138.73 34.63 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' 2052 ' ' ALA . 84.6 mt -122.61 123.12 40.44 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' 2037 ' ' PRO . 35.4 m -131.26 161.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.41 -125.27 17.39 Favored Glycine 0 C--N 1.315 -0.624 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -88.12 -4.41 58.76 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.99 0.424 . . . . 0.0 111.764 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.63 -22.75 40.28 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' 2047 ' ' LEU . . . -99.71 149.09 35.6 Favored Pre-proline 0 N--CA 1.433 -1.278 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.21 174.19 11.69 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.283 1.989 . . . . 0.0 112.409 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -79.94 159.38 26.34 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 174.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.46 ' HD3' HG13 ' A' 2036 ' ' ILE . 8.8 tpt180 -61.13 -32.62 72.32 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.334 177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' 2032 ' ' LEU . . . -64.72 -22.24 66.94 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -102.95 -26.04 13.24 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' 2055 ' ' ARG . 3.4 tm? -47.7 -51.4 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 126.64 1.976 . . . . 0.0 114.406 -169.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.24 -47.99 74.86 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.891 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 57.3 mtm -64.2 -39.84 94.82 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.998 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.66 -49.36 73.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.395 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.38 -33.7 76.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 120.775 0.321 . . . . 0.0 111.538 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -22.82 67.09 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.33 0.586 . . . . 0.0 110.897 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -106.3 8.92 41.77 Favored Glycine 0 N--CA 1.429 -1.806 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.014 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 72.3 m80 -142.53 82.55 12.61 Favored Pre-proline 0 C--N 1.318 -0.786 0 C-N-CA 122.729 0.412 . . . . 0.0 110.366 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -66.32 -22.54 52.81 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.258 1.972 . . . . 0.0 112.503 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.554 ' O ' ' HA ' ' A' 2040 ' ' ASN . 14.5 pt-20 -78.29 -4.87 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.534 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . 0.49 ' CD2' ' HG3' ' A' 2067 ' ' GLU . 69.2 m-85 -120.95 156.66 31.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.519 ' HB2' ' HE3' ' A' 2041 ' ' LYS . . . -153.61 165.98 34.22 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -62.95 141.1 18.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.79 122.82 68.21 Favored Pre-proline 0 C--O 1.243 0.747 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.61 -25.16 54.86 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 112.21 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -77.36 -38.21 50.64 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.95 -39.32 91.73 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.43 -50.77 72.5 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.54 80.88 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.857 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . 0.506 ' OH ' ' HG3' ' A' 2082 ' ' ARG . 40.3 t80 -65.73 -41.71 91.89 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.02 0.928 . . . . 0.0 111.041 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 74.2 mtm -65.86 -39.44 90.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.51 -31.39 53.46 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.082 0.468 . . . . 0.0 110.252 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' 2081 ' ' ARG . 24.9 t70 -59.82 -28.16 67.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.163 0.985 . . . . 0.0 109.825 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' 2080 ' ' ASP . 68.5 mtm180 83.4 20.28 0.19 Allowed 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 124.937 1.295 . . . . 0.0 111.717 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . 0.506 ' HG3' ' OH ' ' A' 2077 ' ' TYR . 35.9 ttm180 74.33 -61.26 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.802 1.241 . . . . 0.0 112.561 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . 0.422 ' HE3' ' O ' ' A' 2080 ' ' ASP . 86.0 mttt 64.34 -75.91 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.871 1.268 . . . . 0.0 112.035 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -123.06 140.83 52.62 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.235 -175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . 0.427 ' HD2' ' O ' ' A' 2085 ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 CA-C-O 122.362 1.077 . . . . 0.0 111.709 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.426 -1.628 0 CA-C-O 122.094 0.95 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -60.85 -32.6 72.01 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.89 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.497 ' CG2' ' HG2' ' A' 2055 ' ' ARG . 15.5 m -146.96 176.93 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 174.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -85.71 21.83 1.77 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 120.994 0.426 . . . . 0.0 112.145 -175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 85.6 mt 70.84 -17.48 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -5.18 51.12 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 11.9 t -77.24 157.99 30.52 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 121.201 0.524 . . . . 0.0 110.669 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.09 102.74 15.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.76 121.7 82.18 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.561 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -67.93 116.62 4.4 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.062 1.841 . . . . 0.0 109.658 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 19.8 m -112.41 137.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' 2045 ' ' THR . 12.7 tt -120.65 129.95 75.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 24.0 t-20 -69.9 129.55 39.83 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -73.4 -35.42 65.87 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . 0.415 HG12 ' OD1' ' A' 2040 ' ' ASN . 8.8 p -80.23 -48.65 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.674 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.98 -53.83 6.64 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.743 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 108.67 8.52 28.23 Favored Glycine 0 C--N 1.293 -1.81 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.554 -175.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' 2039 ' ' ILE . 21.1 m -62.98 112.14 2.46 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 42.2 tp -100.26 115.66 30.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.93 127.84 37.55 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 26.7 m -129.58 156.24 41.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 74.5 -148.13 38.3 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.381 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -71.8 -8.02 51.74 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.433 0.635 . . . . 0.0 111.413 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.5 -18.27 49.08 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.851 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -95.94 146.68 31.73 Favored Pre-proline 0 N--CA 1.432 -1.369 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.87 143.35 79.43 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 121.874 1.716 . . . . 0.0 111.377 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -71.84 145.11 48.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.497 ' HG2' ' CG2' ' A' 2030 ' ' VAL . 49.2 tpt85 -49.15 -36.02 18.21 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -177.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.44 96.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.036 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.23 -45.7 17.54 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.04 -39.24 19.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.44 1.896 . . . . 0.0 111.575 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.61 -52.83 63.87 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.131 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' 2063 ' ' GLN . 1.0 OUTLIER -75.1 -32.49 61.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 53.8 t90 -57.9 -56.37 22.85 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.021 1.328 . . . . 0.0 110.536 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.5 -33.12 59.31 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.727 0.642 . . . . 0.0 112.386 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' 2060 ' ' MET . 8.9 tt0 -58.36 -44.97 89.03 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.879 0.872 . . . . 0.0 112.277 -177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -100.65 -15.96 27.86 Favored Glycine 0 C--N 1.302 -1.346 0 C-N-CA 119.655 -1.259 . . . . 0.0 112.232 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 30.1 t60 -158.15 92.28 2.12 Favored Pre-proline 0 C--N 1.297 -1.688 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . 0.549 ' C ' ' H ' ' A' 2068 ' ' PHE . 12.6 Cg_endo -78.19 -80.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.404 -3.736 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 172.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 51.39 -35.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.052 2.541 . . . . 0.0 114.545 -173.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . 0.549 ' H ' ' C ' ' A' 2066 ' ' PRO . 31.3 m-85 -105.71 172.42 6.81 Favored 'General case' 0 C--N 1.247 -3.883 0 C-N-CA 127.713 2.405 . . . . 0.0 106.658 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -146.0 162.28 38.22 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 5.4 p -70.1 134.22 30.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.3 124.73 62.33 Favored Pre-proline 0 C--O 1.248 1.016 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.15 -22.81 53.67 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.699 2.266 . . . . 0.0 114.094 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.627 ' O ' ' HD3' ' A' 2073 ' ' ARG . 0.1 OUTLIER -81.49 -31.44 32.9 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.96 -38.82 92.6 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.125 0.488 . . . . 0.0 109.809 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.61 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.327 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.64 -38.85 91.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.348 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.78 -43.49 98.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.219 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.17 -33.12 50.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.79 -40.76 80.65 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.292 0.37 . . . . 0.0 110.13 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 60.95 -159.02 0.32 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -85.1 65.51 9.27 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.232 -0.987 . . . . 0.0 110.019 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 70.48 81.89 0.16 Allowed 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.868 1.267 . . . . 0.0 113.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -66.93 159.2 28.95 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.82 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.385 1.474 . . . . 0.0 110.663 -177.312 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 99.1 mt . . . . . 0 C--O 1.246 0.895 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -103.52 168.14 9.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . 0.432 ' CG2' ' HG2' ' A' 2055 ' ' ARG . 17.4 m -66.68 -27.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-O 121.227 0.537 . . . . 0.0 110.867 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 25.1 t70 51.94 26.28 3.59 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.073 1.349 . . . . 0.0 111.948 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 86.0 mt 70.21 -0.71 2.71 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.062 1.345 . . . . 0.0 114.454 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.4 ' HG2' ' NH2' ' A' 2054 ' ' ARG . 46.8 mt-10 -99.78 -17.76 17.54 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.757 0.708 . . . . 0.0 112.006 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 20.5 m -65.14 136.78 57.1 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' 2052 ' ' ALA . 14.1 mmt180 -82.79 102.56 11.66 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.469 HG13 ' HD3' ' A' 2055 ' ' ARG . 47.7 mm -72.54 116.36 48.8 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.659 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' 2047 ' ' LEU . 5.5 Cg_exo -70.32 118.82 5.9 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 121.918 1.745 . . . . 0.0 109.495 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 22.2 m -117.56 147.08 21.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.883 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.8 tt -124.06 133.8 68.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.98 124.59 24.44 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -67.96 -25.19 65.32 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 51.5 t -89.73 -58.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.91 -47.82 15.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.29 0.567 . . . . 0.0 111.974 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 107.63 12.37 22.99 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -174.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 11.8 m -65.45 113.0 3.82 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 57.0 tp -97.99 126.27 43.33 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' 2037 ' ' PRO . 79.5 mt -104.93 124.81 50.13 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 19.7 m -130.41 171.54 17.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 O-C-N 123.737 0.648 . . . . 0.0 109.558 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 57.64 -132.16 52.42 Favored Glycine 0 N--CA 1.446 -0.643 0 O-C-N 123.42 0.45 . . . . 0.0 112.505 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.4 5.75 43.78 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.48 -18.43 23.21 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.495 ' O ' ' HD2' ' A' 2035 ' ' ARG . . . -83.56 142.81 43.29 Favored Pre-proline 0 N--CA 1.417 -2.097 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 13.7 Cg_exo -69.86 146.0 58.25 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.229 1.953 . . . . 0.0 112.339 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.555 ' O ' ' HG2' ' A' 2057 ' ' GLU . 46.3 ttt180 -71.56 138.23 48.65 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 174.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.469 ' HD3' HG13 ' A' 2036 ' ' ILE . 20.6 tpt180 -49.41 -32.83 12.45 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 123.751 0.82 . . . . 0.0 113.0 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.401 ' H ' ' HG2' ' A' 2054 ' ' ARG . . . -61.98 -35.89 79.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' 2054 ' ' ARG . 14.0 pt-20 -94.92 -16.83 22.53 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.6 -40.17 74.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 111.338 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.17 -41.66 93.29 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.543 0.687 . . . . 0.0 111.051 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 61.5 mtt -75.21 -40.8 58.85 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.928 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 25.5 t90 -65.12 -48.46 73.54 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.366 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 39.8 mt -68.1 -34.41 76.33 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.06 -21.62 63.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.841 0.829 . . . . 0.0 109.343 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -78.4 -0.65 79.27 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.333 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 36.7 m80 61.97 76.52 0.39 Allowed Pre-proline 0 N--CA 1.466 0.363 0 C-N-CA 125.371 1.468 . . . . 0.0 113.1 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -95.74 -8.15 1.33 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.028 1.819 . . . . 0.0 112.159 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 69.83 28.68 4.26 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.254 1.421 . . . . 0.0 111.581 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.6 153.82 21.8 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.829 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -132.03 162.38 30.9 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 7.7 p -72.96 137.89 22.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 123.292 0.37 . . . . 0.0 110.965 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 8.4 t70 -62.94 128.25 91.86 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 2071 ' ' ASP . 32.3 Cg_exo -62.21 -24.26 76.05 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.541 2.828 . . . . 0.0 113.898 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.448 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 40.9 ttm180 -73.58 -38.03 65.3 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.87 -35.25 78.2 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.877 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' 2079 ' ' GLU . 86.3 mt -60.57 -44.1 96.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.0 85.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.426 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.54 -38.55 87.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.105 0.562 . . . . 0.0 110.983 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.58 -40.72 84.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' 2082 ' ' ARG . 25.7 mm-40 -70.84 -31.11 67.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.162 0.506 . . . . 0.0 110.755 178.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.13 -29.35 60.58 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.763 0.825 . . . . 0.0 110.824 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -90.53 19.08 5.58 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.472 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' 2079 ' ' GLU . 64.5 mtp180 -57.17 -51.08 70.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.657 0.741 . . . . 0.0 109.049 174.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -161.17 139.54 9.69 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -107.29 129.51 54.88 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 54.4 mtpt . . . . . 0 N--CA 1.419 -2.017 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.723 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.987 0.899 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.11 -164.45 2.02 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.21 -167.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-N 118.896 0.771 . . . . 0.0 110.852 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.23 21.58 5.06 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.534 -174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . . . . . . . . . 83.4 mt 66.83 -44.87 0.45 Allowed 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.79 -12.57 59.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.259 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . . . . . . . . . 9.1 m -61.01 126.91 29.09 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' 2054 ' ' ARG . 6.2 mpt_? -81.87 113.81 20.05 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . 0.446 ' HB ' ' HG ' ' A' 2058 ' ' LEU . 37.0 mm -83.27 118.56 71.97 Favored Pre-proline 0 C--N 1.309 -1.195 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.13 138.78 74.64 Favored 'Trans proline' 0 C--O 1.247 0.975 0 C-N-CA 122.48 2.12 . . . . 0.0 112.104 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . 0.473 HG11 HD21 ' A' 2058 ' ' LEU . 15.9 m -131.04 152.73 38.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.226 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 12.9 tt -130.63 128.92 63.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.455 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' 2068 ' ' PHE . 26.7 t-20 -73.59 123.37 23.85 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -73.96 -21.35 60.05 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 42.6 t -85.91 -48.87 15.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.78 -37.32 11.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 97.06 27.06 9.69 Favored Glycine 0 C--N 1.296 -1.647 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' 2040 ' ' ASN . 3.0 m -73.61 105.08 4.79 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 64.8 tp -98.21 124.43 42.78 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.094 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . . . . . . . . . 84.4 mt -108.73 114.97 29.2 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 18.5 m -127.59 172.33 14.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 122.868 0.467 . . . . 0.0 109.816 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 66.68 -118.0 10.09 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.66 7.85 26.72 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.111 0.481 . . . . 0.0 110.346 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.46 -25.6 61.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' 2053 ' ' PRO . . . -91.92 144.09 28.74 Favored Pre-proline 0 N--CA 1.427 -1.616 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.751 178.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 2052 ' ' ALA . 14.6 Cg_exo -70.93 158.65 54.85 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.451 2.101 . . . . 0.0 112.518 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' 2035 ' ' ARG . 26.4 ptt180 -70.28 146.74 50.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' 2058 ' ' LEU . 18.2 tpt180 -47.78 -41.06 22.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.913 1.685 . . . . 0.0 112.429 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -55.3 -39.97 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.183 0.927 . . . . 0.0 111.513 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -93.94 -36.06 12.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.714 0.769 . . . . 0.0 110.36 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . 0.473 HD21 HG11 ' A' 2038 ' ' VAL . 3.2 tm? -54.7 -40.0 68.72 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.819 1.648 . . . . 0.0 112.944 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' 2063 ' ' GLN . 11.3 pt-20 -61.54 -44.35 97.2 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.867 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 50.7 ttm -71.89 -37.81 70.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.186 0.517 . . . . 0.0 109.672 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 68.7 t90 -60.1 -44.61 94.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.54 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.99 -38.81 92.19 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.642 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.9 mm100 -66.11 -28.53 68.88 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -69.59 -14.22 69.41 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.238 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 71.29 79.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 125.232 1.413 . . . . 0.0 112.038 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -93.83 6.23 2.72 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.411 2.074 . . . . 0.0 110.423 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 74.82 13.16 3.5 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.665 1.586 . . . . 0.0 111.088 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' A' 2040 ' ' ASN . 34.2 m-85 -103.46 144.64 31.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.707 174.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -121.32 160.33 24.19 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 6.7 p -69.3 131.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 O-C-N 123.731 0.644 . . . . 0.0 109.862 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.49 117.87 23.77 Favored Pre-proline 0 C--O 1.243 0.741 0 O-C-N 123.7 0.625 . . . . 0.0 110.454 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.19 -16.22 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.643 2.228 . . . . 0.0 113.678 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -80.48 -33.59 36.51 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.324 0.583 . . . . 0.0 109.557 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . . . . . . . . . 59.9 t80 -71.72 -32.02 67.34 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.513 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' 2079 ' ' GLU . 84.4 mt -58.98 -32.73 69.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.59 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.1 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.34 -32.66 66.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.215 0.531 . . . . 0.0 110.362 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.5 ttm -71.22 -31.94 68.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.793 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' 2082 ' ' ARG . 44.7 mt-10 -77.35 -31.28 54.34 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.321 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.82 -45.86 85.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.075 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -82.78 78.52 9.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . 0.572 ' HB2' ' O ' ' A' 2079 ' ' GLU . 68.1 ttt180 -99.03 76.33 2.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.534 -174.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' 2083 ' ' LYS . 11.3 mptt 50.44 67.17 0.96 Allowed 'General case' 0 C--O 1.243 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.828 177.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.67 166.74 32.59 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.741 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 50.0 tttm . . . . . 0 C--N 1.293 -1.879 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.492 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2028 ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--O 1.238 0.459 0 CA-C-O 121.787 0.803 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2029 ' ' ASP . . . . . . . . . . . . . 17.7 t70 -150.79 -171.71 4.0 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2030 ' ' VAL . . . . . . . . . . . . . 6.4 p -91.19 16.16 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.445 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2031 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 72.46 12.51 5.57 Favored 'General case' 0 CA--C 1.498 -1.032 0 C-N-CA 126.722 2.009 . . . . 0.0 112.765 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2032 ' ' LEU . . . . . 0.492 ' C ' ' HG3' ' A' 2055 ' ' ARG . 89.0 mt 55.58 23.1 5.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 123.608 0.568 . . . . 0.0 111.914 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.24 -16.24 10.96 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.577 0.703 . . . . 0.0 110.767 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2034 ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' 2055 ' ' ARG . 27.9 m -101.83 122.41 43.93 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.285 -0.871 . . . . 0.0 108.922 -176.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2035 ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -65.45 148.92 50.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 118.153 0.433 . . . . 0.0 110.6 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2036 ' ' ILE . . . . . . . . . . . . . 38.8 mm -102.94 117.36 60.73 Favored Pre-proline 0 C--N 1.302 -1.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.913 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2037 ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' 2047 ' ' LEU . 3.5 Cg_exo -70.71 125.25 11.46 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.759 1.639 . . . . 0.0 109.804 175.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2038 ' ' VAL . . . . . . . . . . . . . 31.3 m -117.82 148.95 20.29 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.417 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2039 ' ' ILE . . . . . . . . . . . . . 15.7 tt -122.91 137.69 55.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.953 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2040 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.27 122.93 21.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2041 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.13 -28.48 67.92 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2042 ' ' VAL . . . . . . . . . . . . . 46.1 t -98.98 -59.87 3.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-O 121.081 0.467 . . . . 0.0 111.869 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2043 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -79.12 -25.04 43.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -171.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2044 ' ' GLY . . . . . . . . . . . . . . . 91.84 16.49 51.4 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 120.108 -1.044 . . . . 0.0 112.057 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2045 ' ' THR . . . . . . . . . . . . . 6.1 m -65.09 114.15 4.42 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2046 ' ' LEU . . . . . . . . . . . . . 60.6 tp -108.52 119.6 40.0 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.169 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2047 ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' 2037 ' ' PRO . 68.5 mt -98.4 111.32 23.7 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.289 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2048 ' ' VAL . . . . . . . . . . . . . 29.2 m -124.59 168.46 17.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.675 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2049 ' ' GLY . . . . . . . . . . . . . . . 69.7 -139.84 32.28 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.365 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2050 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.74 -0.4 38.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.764 0.792 . . . . 0.0 111.902 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2051 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.57 -6.0 37.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.866 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2052 ' ' ALA . . . . . . . . . . . . . . . -87.54 135.52 34.14 Favored Pre-proline 0 N--CA 1.424 -1.742 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -55.6 158.33 13.4 Favored 'Trans proline' 0 C--O 1.258 1.487 0 C-N-CA 124.069 3.179 . . . . 0.0 115.12 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2054 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -67.47 121.03 14.92 Favored 'General case' 0 N--CA 1.406 -2.625 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.419 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2055 ' ' ARG . . . . . 0.723 ' H ' ' HD3' ' A' 2055 ' ' ARG . 0.0 OUTLIER -48.74 -47.42 41.48 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 125.218 1.407 . . . . 0.0 113.312 -176.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -62.79 -26.2 68.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2057 ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -97.28 -19.34 18.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.666 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2058 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.64 -39.28 61.61 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 124.721 1.208 . . . . 0.0 112.055 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' 2063 ' ' GLN . 23.6 mt-10 -55.84 -55.19 35.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.683 0.754 . . . . 0.0 109.525 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2060 ' ' MET . . . . . . . . . . . . . 47.0 ttm -67.84 -37.66 82.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.31 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2061 ' ' TRP . . . . . . . . . . . . . 21.9 t90 -60.47 -44.94 95.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.206 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2062 ' ' LEU . . . . . . . . . . . . . 63.1 mt -67.77 -32.96 73.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.721 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' 2059 ' ' GLU . 14.6 mm100 -63.69 -30.46 71.56 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2064 ' ' GLY . . . . . . . . . . . . . . . -74.09 -28.01 65.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2065 ' ' HIS . . . . . . . . . . . . . 25.0 t-80 64.57 87.18 0.12 Allowed Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.831 1.652 . . . . 0.0 112.519 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2066 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -98.11 25.44 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.948 3.099 . . . . 0.0 111.67 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 83.82 -8.9 1.02 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.549 1.939 . . . . 0.0 111.289 -177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2068 ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.61 152.64 18.85 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.474 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -141.27 177.06 8.35 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2070 ' ' VAL . . . . . . . . . . . . . 30.3 m -72.33 146.96 10.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 118.308 0.504 . . . . 0.0 110.785 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2071 ' ' ASP . . . . . 0.523 ' OD2' ' HB3' ' A' 2073 ' ' ARG . 2.0 t70 -69.27 128.28 92.53 Favored Pre-proline 0 C--N 1.304 -1.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.218 177.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2072 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.79 -26.31 79.74 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.062 2.508 . . . . 0.0 113.0 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . 0.523 ' HB3' ' OD2' ' A' 2071 ' ' ASP . 36.8 ttm180 -74.19 -32.99 63.29 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2074 ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' A' 2077 ' ' TYR . 67.2 t80 -69.6 -34.98 74.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.928 0.891 . . . . 0.0 110.106 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.62 -37.34 86.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.238 0.542 . . . . 0.0 110.113 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2076 ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.86 70.45 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.711 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2077 ' ' TYR . . . . . 0.564 ' O ' ' HG2' ' A' 2081 ' ' ARG . 57.7 t80 -54.76 -48.22 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.331 0.653 . . . . 0.0 110.317 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2078 ' ' MET . . . . . . . . . . . . . 51.9 mtt -60.54 -55.73 29.85 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.822 0.344 . . . . 0.0 110.766 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2079 ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -60.46 -38.14 83.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.032 -174.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2080 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.28 -45.59 38.93 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2081 ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' 2077 ' ' TYR . 20.2 mmt180 -72.83 -78.15 0.09 Allowed 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.083 -174.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2082 ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -165.39 25.23 0.05 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2083 ' ' LYS . . . . . . . . . . . . . 13.6 mptt -118.0 91.48 3.58 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.03 21.26 0.33 Allowed 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2085 ' ' LYS . . . . . . . . . . . . . 35.4 mtmm . . . . . 0 C--O 1.236 0.347 0 C-N-CA 124.997 1.319 . . . . 0.0 111.153 179.937 . . . . . . . . 0 0 . 1 stop_ save_